data_2naq_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 2naq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -74.0 -23.57 59.46 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.23 -0.919 . . . . 0.0 109.189 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.66 -40.82 72.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.92 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.4 m -69.94 -27.81 65.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.809 . . . . 0.0 109.42 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -70.95 -52.03 22.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.92 . . . . 0.0 110.056 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.91 -33.31 70.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.93 -1.106 . . . . 0.0 109.549 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.05 84.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.97 . . . . 0.0 109.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.79 -33.25 75.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 109.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -72.73 -53.08 12.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.038 -1.039 . . . . 0.0 109.864 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.28 -27.3 67.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.88 -1.137 . . . . 0.0 108.739 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -81.93 -35.16 29.41 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.188 -0.945 . . . . 0.0 109.48 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.88 -2.43 15.03 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.015 -1.053 . . . . 0.0 110.42 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.38 161.62 20.3 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.743 -1.223 . . . . 0.0 108.352 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.26 155.45 35.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.282 -0.887 . . . . 0.0 109.915 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.79 -47.36 83.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 109.864 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.41 -32.27 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 108.892 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -72.56 -29.08 63.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.012 -1.055 . . . . 0.0 108.547 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.42 -46.0 91.96 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.16 -32.71 74.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.431 -0.793 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.74 -28.02 62.38 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.999 -1.063 . . . . 0.0 109.557 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.89 -41.38 78.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.98 -1.075 . . . . 0.0 109.785 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.3 -47.4 50.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.108 -0.995 . . . . 0.0 109.932 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.3 ttt -58.61 -39.34 80.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.707 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.168 -0.958 . . . . 0.0 109.525 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.12 -48.45 43.63 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.229 -0.919 . . . . 0.0 109.465 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.86 -31.75 72.88 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.219 -0.926 . . . . 0.0 109.584 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.78 22.47 3.09 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 0.0 109.737 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.13 -0.981 . . . . 0.0 108.878 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 CA--C 1.539 0.73 0 N-CA-C 109.135 -1.14 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.25 119.4 75.55 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.92 133.57 58.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 CA-C-N 119.93 1.011 . . . . 0.0 109.611 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -64.85 -46.15 83.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.71 -31.85 46.29 Favored Glycine 0 N--CA 1.505 3.269 0 C-N-CA 119.82 -1.181 . . . . 0.0 110.206 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' N ' ' OE1' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -75.17 -51.72 12.69 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.866 -1.373 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.6 m -63.8 -54.32 36.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.15 -0.969 . . . . 0.0 110.082 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.35 -39.88 76.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.049 -1.032 . . . . 0.0 109.636 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -76.71 -18.07 58.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.795 -1.191 . . . . 0.0 109.494 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.53 131.52 39.02 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.06 -1.025 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.458 ' OD2' ' CD2' ' A' ' 49' ' ' HIS . 38.9 t70 -80.03 179.67 7.49 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.336 -0.853 . . . . 0.0 109.1 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.59 ' CD2' ' H ' ' A' ' 49' ' ' HIS . 2.3 p80 -59.82 -46.62 88.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.082 -1.011 . . . . 0.0 109.193 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.62 -51.26 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.962 -1.086 . . . . 0.0 108.804 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.57 -37.08 72.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -54.1 -44.46 71.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.988 -1.07 . . . . 0.0 109.294 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.62 70.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.177 -0.952 . . . . 0.0 109.561 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -69.54 -37.29 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 110.38 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.24 -35.21 71.36 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.779 -1.201 . . . . 0.0 108.865 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.6 mtp -71.39 -42.76 67.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.202 -0.936 . . . . 0.0 109.737 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.1 mt -77.72 -37.16 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 120.78 -1.2 . . . . 0.0 110.01 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.14 -47.74 19.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.881 -1.137 . . . . 0.0 111.834 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -84.15 -42.61 15.83 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.77 -1.206 . . . . 0.0 112.844 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -94.87 -27.23 15.83 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.563 -1.336 . . . . 0.0 110.603 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.69 164.75 29.26 Favored Glycine 0 N--CA 1.505 3.24 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' OE1' ' NE1' ' A' ' 66' ' ' TRP . 7.4 tp10 -71.13 -33.76 70.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -1.101 . . . . 0.0 110.07 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.21 -52.88 16.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.123 -0.985 . . . . 0.0 110.301 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -71.66 -39.2 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.996 -1.065 . . . . 0.0 110.485 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.24 75.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.797 -1.19 . . . . 0.0 109.856 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.457 ' NE1' ' OE1' ' A' ' 62' ' ' GLU . 30.3 m0 -61.4 -40.3 93.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.149 -0.969 . . . . 0.0 109.084 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.05 75.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.633 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mmm -76.28 -32.5 58.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.214 -0.929 . . . . 0.0 109.171 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.95 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.298 -0.876 . . . . 0.0 110.345 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.69 -40.24 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.06 -1.025 . . . . 0.0 110.494 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -65.71 -30.06 70.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.047 -1.033 . . . . 0.0 110.218 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.95 -40.41 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 120.618 -1.301 . . . . 0.0 109.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -56.86 -47.03 81.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.397 -1.44 . . . . 0.0 109.709 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.34 -27.99 66.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.957 -1.089 . . . . 0.0 109.679 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.66 -46.79 68.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 110.281 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.4 pt -83.84 20.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.052 -1.03 . . . . 0.0 109.623 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.613 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER 54.95 74.48 0.36 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.462 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.61 38.13 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -47.06 -36.4 8.06 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.734 -0.604 . . . . 0.0 110.999 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -58.69 -33.37 70.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.824 -1.172 . . . . 0.0 109.269 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.9 -26.03 64.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.828 . . . . 0.0 109.846 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.426 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.2 t80 -72.88 -35.49 67.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 108.847 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -64.27 -44.97 90.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.091 -1.006 . . . . 0.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -75.0 -43.29 54.73 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.121 -0.987 . . . . 0.0 109.923 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.85 72.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.153 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.4 -27.35 67.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.039 -1.038 . . . . 0.0 110.076 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -86.31 -28.21 23.85 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.794 -1.191 . . . . 0.0 110.61 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.93 -10.43 33.8 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.962 -1.086 . . . . 0.0 110.333 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.456 ' OE2' ' CE3' ' A' ' 66' ' ' TRP . 3.0 mm-40 -72.47 118.07 64.44 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.83 -1.169 . . . . 0.0 108.207 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 CA--C 1.538 0.71 0 N-CA-C 109.487 -1.005 . . . . 0.0 109.487 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -83.09 -28.02 29.81 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 109.45 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.266 -0.896 . . . . 0.0 109.668 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 7' ' ' LYS . 30.1 p -63.21 -38.36 90.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.397 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 57.6 mttp -60.62 -50.14 74.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 109.826 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.17 -33.13 51.21 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.95 -1.094 . . . . 0.0 109.829 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.62 84.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 109.592 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -59.1 -34.04 71.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.152 -0.968 . . . . 0.0 109.931 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' HH ' ' CG ' ' A' ' 88' ' ' ASP . 47.6 m-85 -71.87 -51.74 20.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.782 -1.199 . . . . 0.0 110.049 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.0 -26.49 65.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.008 -1.058 . . . . 0.0 109.188 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.69 -31.36 32.21 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.236 -0.915 . . . . 0.0 109.958 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.06 -2.68 4.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.014 -1.053 . . . . 0.0 109.821 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -93.3 160.96 14.59 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.988 -1.07 . . . . 0.0 109.103 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 11.4 mp0 -65.54 156.12 33.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.874 . . . . 0.0 109.436 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -57.74 -47.62 81.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.877 . . . . 0.0 109.712 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.07 -38.18 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.28 -29.4 69.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.064 -1.023 . . . . 0.0 108.515 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.07 -33.32 75.53 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' HZ2' ' CE ' ' A' ' 25' ' ' MET . 55.7 tttm -70.96 -35.37 72.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.12 -28.38 61.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -70.11 -42.14 73.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.911 -1.118 . . . . 0.0 109.696 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -68.29 -41.82 80.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.041 -1.037 . . . . 0.0 109.771 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.496 ' CE ' ' HZ2' ' A' ' 21' ' ' LYS . 15.1 mtt -64.6 -33.79 76.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.195 -0.94 . . . . 0.0 108.591 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.34 -38.59 84.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.218 -0.926 . . . . 0.0 109.317 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.93 -37.62 84.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 0.0 109.365 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -71.66 -30.8 66.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 109.824 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.25 32.21 0.28 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.14 -0.975 . . . . 0.0 109.887 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 CA--C 1.539 0.754 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.2 mm? -71.72 119.26 73.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.07 133.58 58.76 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 CA-C-N 119.977 1.027 . . . . 0.0 109.627 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.66 -42.84 95.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.333 -0.855 . . . . 0.0 109.519 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.08 -35.88 91.46 Favored Glycine 0 N--CA 1.503 3.123 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -75.62 -39.03 58.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.924 -1.339 . . . . 0.0 109.981 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -70.69 -46.37 63.28 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.478 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 2.1 pp20? -65.91 -40.36 91.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.866 -1.146 . . . . 0.0 109.508 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.7 tttp -72.04 -16.62 62.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.897 -1.127 . . . . 0.0 109.542 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.47 137.16 55.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 0.0 109.62 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 36.8 t70 -80.59 179.32 7.81 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.348 -0.845 . . . . 0.0 109.791 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.498 ' HD1' ' N ' ' A' ' 49' ' ' HIS . 1.1 m80 -63.47 -49.11 74.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.915 . . . . 0.0 109.964 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.2 -35.13 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.979 -1.075 . . . . 0.0 108.753 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.58 -39.45 73.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.226 -0.922 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.48 -47.52 76.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.827 -1.171 . . . . 0.0 109.237 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.81 69.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.035 -1.041 . . . . 0.0 109.5 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.2 m -72.15 -32.59 67.04 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 109.916 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.39 70.36 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.917 -1.114 . . . . 0.0 108.684 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.4 mtp -67.92 -40.39 83.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 109.357 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.72 -34.87 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.831 -1.168 . . . . 0.0 109.925 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.24 -52.11 9.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.78 -1.2 . . . . 0.0 111.927 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -81.79 -42.4 19.77 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.737 -1.227 . . . . 0.0 112.768 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -93.23 -27.89 16.59 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.365 -1.459 . . . . 0.0 110.566 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.27 167.35 32.78 Favored Glycine 0 N--CA 1.503 3.152 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.86 -31.09 67.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.382 -1.07 . . . . 0.0 110.366 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -71.14 -52.83 17.04 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.113 -0.992 . . . . 0.0 110.506 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -73.5 -38.32 65.41 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.831 -1.168 . . . . 0.0 110.173 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.19 -51.72 61.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.202 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -61.51 -44.08 97.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.071 -1.018 . . . . 0.0 108.929 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.95 74.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.675 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtp -76.2 -32.57 59.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.26 76.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.87 -41.78 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.064 -1.023 . . . . 0.0 110.407 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -65.75 -29.65 70.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.0 110.378 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.8 mt -72.46 -42.21 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 120.681 -1.262 . . . . 0.0 109.664 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.35 -46.83 79.81 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.388 -1.445 . . . . 0.0 109.54 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.82 67.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.871 -1.143 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.11 57.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.191 -0.943 . . . . 0.0 110.6 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.64 19.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.876 -1.14 . . . . 0.0 109.584 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.99 71.46 0.51 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.665 -0.647 . . . . 0.0 110.496 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 78' ' ' ARG . 16.7 mtt-85 -153.56 38.23 0.48 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.15 -28.99 43.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 110.153 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -56.41 -30.16 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.859 -1.15 . . . . 0.0 109.356 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -26.05 63.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.873 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.05 -37.68 66.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.684 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -44.67 95.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.12 -0.988 . . . . 0.0 109.188 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -74.92 -45.54 41.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 109.71 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.78 -30.24 43.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.235 -0.916 . . . . 0.0 109.529 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -70.39 -27.3 64.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 109.141 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.424 ' NH1' ' CG ' ' A' ' 87' ' ' ARG . 3.9 ttt-85 -75.89 -27.73 57.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.913 -1.117 . . . . 0.0 109.635 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.422 ' CG ' ' HH ' ' A' ' 11' ' ' TYR . 20.8 t70 -91.64 -2.74 56.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.58 114.04 6.65 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.903 . . . . 0.0 109.145 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 -179.79 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -42.73 57.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.203 -0.935 . . . . 0.0 108.555 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -54.75 -34.68 62.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.601 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.07 -24.66 51.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.484 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.95 -48.96 26.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.346 -0.846 . . . . 0.0 110.306 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.05 -33.39 70.23 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.937 -1.102 . . . . 0.0 109.463 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.84 79.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.98 -1.075 . . . . 0.0 109.3 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -68.72 -33.41 73.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.307 -0.871 . . . . 0.0 109.109 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.45 -55.3 16.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.546 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.68 -25.24 64.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.994 -1.066 . . . . 0.0 109.21 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -81.99 -32.32 30.69 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.232 -0.917 . . . . 0.0 110.804 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 37.7 p30 -66.95 -19.31 65.7 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.812 -1.18 . . . . 0.0 110.793 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 73.9 mt -73.9 164.35 26.75 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.929 -1.107 . . . . 0.0 109.42 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 3.3 mp0 -65.47 154.67 37.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.094 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -54.92 -45.58 74.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.37 -0.831 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.66 -32.58 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 15.5 t70 -69.69 -31.69 69.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.87 -30.64 71.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.844 -1.16 . . . . 0.0 107.878 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -73.65 -48.86 29.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.504 -0.748 . . . . 0.0 110.758 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -75.65 -33.84 60.46 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.791 -1.193 . . . . 0.0 110.692 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -68.84 -41.36 78.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.73 -1.231 . . . . 0.0 109.795 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -72.21 -41.4 66.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.059 -1.025 . . . . 0.0 109.517 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 29' ' ' ASP . 1.3 tmt? -67.69 -34.11 76.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 109.606 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.64 74.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.125 -0.985 . . . . 0.0 109.561 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.15 -44.55 75.77 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.094 -1.003 . . . . 0.0 108.652 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -65.78 -32.86 74.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' SD ' ' A' ' 25' ' ' MET . 2.4 m-20 -91.71 19.92 6.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.155 -0.965 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 120.983 -1.073 . . . . 0.0 108.705 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 CA--C 1.539 0.748 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.73 120.26 78.99 Favored Pre-proline 0 N--CA 1.492 1.66 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.67 133.88 51.58 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 CA-C-N 119.907 1.003 . . . . 0.0 110.066 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.58 -49.21 72.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.423 -0.798 . . . . 0.0 110.052 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.54 -37.56 56.44 Favored Glycine 0 N--CA 1.506 3.306 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.349 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -75.19 -36.14 61.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.809 -1.407 . . . . 0.0 109.885 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -69.68 -47.05 64.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.057 -1.027 . . . . 0.0 110.052 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.22 -40.03 88.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.972 -1.08 . . . . 0.0 109.416 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -75.05 -14.75 60.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.868 -1.145 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.12 132.82 43.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.27 168.88 18.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.303 -0.873 . . . . 0.0 108.907 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -53.96 -49.32 69.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.53 -46.1 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.023 -1.048 . . . . 0.0 108.743 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.2 -36.08 78.92 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.208 -0.933 . . . . 0.0 109.7 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.18 -49.02 70.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.834 -1.166 . . . . 0.0 108.881 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.71 68.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.66 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.9 m -70.19 -35.25 73.82 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.027 -1.046 . . . . 0.0 110.314 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.81 -34.9 72.22 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.745 -1.222 . . . . 0.0 108.375 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.6 mtp -69.21 -43.22 74.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.252 -0.905 . . . . 0.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.11 -39.1 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 120.862 -1.149 . . . . 0.0 110.241 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.17 -42.69 36.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.74 -1.225 . . . . 0.0 111.615 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -80.98 -42.24 21.53 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.897 -1.127 . . . . 0.0 112.397 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 20.6 m120 -99.23 -27.08 13.96 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.748 -1.22 . . . . 0.0 110.864 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.52 164.77 29.46 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.68 -31.03 67.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.253 -1.145 . . . . 0.0 110.033 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 10.5 mp0 -69.88 -52.53 24.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.482 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' NZ ' ' O ' ' A' ' 60' ' ' ASN . 32.0 mtmm -73.39 -41.19 63.65 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.967 -1.083 . . . . 0.0 110.035 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.06 68.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.775 -1.203 . . . . 0.0 109.688 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.469 ' CZ3' ' OE2' ' A' ' 89' ' ' GLU . 45.3 m0 -58.92 -43.01 91.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.15 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.59 82.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.126 -0.984 . . . . 0.0 109.773 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.3 mtp -76.02 -32.6 59.46 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.277 -0.89 . . . . 0.0 109.328 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -62.85 -37.84 88.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.86 -54.17 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.192 -0.943 . . . . 0.0 110.264 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -55.0 -29.97 58.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.814 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.3 mt -72.75 -41.01 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 120.573 -1.33 . . . . 0.0 109.815 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -57.04 -46.99 81.99 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.279 -1.513 . . . . 0.0 109.824 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -27.89 68.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.883 -1.136 . . . . 0.0 109.64 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -47.05 75.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 110.242 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 18.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.991 -1.068 . . . . 0.0 108.856 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 56.21 70.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 109.822 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 94.9 mtt180 -149.41 39.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.5 -28.79 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.59 -0.694 . . . . 0.0 110.405 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.74 -27.07 26.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.976 -1.077 . . . . 0.0 109.608 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.4 -26.6 61.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.38 -0.825 . . . . 0.0 109.021 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -72.55 -34.18 67.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.762 -1.211 . . . . 0.0 108.597 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -65.47 -44.37 87.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.182 -0.949 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -74.98 -42.59 57.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.0 109.625 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.79 53.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.375 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -69.74 -27.48 64.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.478 -0.764 . . . . 0.0 109.004 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -80.61 -29.64 36.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.99 -1.069 . . . . 0.0 109.913 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -98.0 -5.25 34.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' OE2' ' CZ3' ' A' ' 66' ' ' TRP . 20.2 tp10 -56.14 113.64 6.18 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.538 0.705 0 N-CA-C 109.439 -1.024 . . . . 0.0 109.439 -179.704 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 m -61.45 -19.57 62.13 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 109.174 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -63.4 -38.8 92.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.943 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.4 m -74.35 -42.58 59.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -67.44 -52.06 44.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.064 -1.022 . . . . 0.0 109.611 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.75 -33.04 63.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.039 -1.038 . . . . 0.0 109.697 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.03 70.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.517 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 10' ' ' ARG . 15.8 mtt-85 -72.54 -33.05 66.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 34.1 m-85 -68.97 -53.29 21.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.148 -0.97 . . . . 0.0 109.343 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.59 -30.23 69.7 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 15' ' ' LEU . 53.4 mt-10 -82.04 -24.17 35.47 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.56 -0.79 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.193 -0.942 . . . . 0.0 109.509 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 13' ' ' GLU . 53.8 mt -88.18 160.03 17.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.029 -1.044 . . . . 0.0 109.246 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.57 150.62 48.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 0.0 108.994 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -52.49 -47.59 66.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.146 -0.971 . . . . 0.0 110.007 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.093 -1.004 . . . . 0.0 109.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.15 -29.49 70.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.146 -0.972 . . . . 0.0 108.942 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.62 -36.49 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 0.0 109.529 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -58.29 -41.77 85.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.237 -0.915 . . . . 0.0 109.329 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -57.12 -35.62 69.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.417 -0.802 . . . . 0.0 109.436 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.4 -39.77 81.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.334 -0.854 . . . . 0.0 110.042 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 40.1 mtm -72.02 -39.21 69.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.222 -0.924 . . . . 0.0 109.43 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.11 69.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.061 -1.024 . . . . 0.0 110.008 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.38 -49.28 56.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.881 -1.137 . . . . 0.0 109.565 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 30' ' ' TYR . 53.6 mt-10 -72.39 -30.2 64.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.204 -0.935 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.27 29.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.15 -0.968 . . . . 0.0 109.933 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.471 ' H ' ' C ' ' A' ' 28' ' ' GLU . 37.6 t80 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 108.441 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.5 mm? -71.45 119.17 72.32 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -58.75 134.87 63.35 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 119.889 0.996 . . . . 0.0 109.815 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -64.63 -31.57 72.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.382 -0.824 . . . . 0.0 109.632 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.06 96.4 Favored Glycine 0 N--CA 1.505 3.274 0 C-N-CA 119.655 -1.259 . . . . 0.0 110.017 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -75.79 -31.59 59.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.713 -1.463 . . . . 0.0 109.433 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -75.12 -41.28 58.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 2.0 pp20? -73.6 -41.66 62.56 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.921 -1.112 . . . . 0.0 109.765 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.9 tttp -70.93 -16.4 62.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.939 -1.101 . . . . 0.0 109.569 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 130.76 44.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.2 167.73 19.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.642 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 2.0 p-80 -50.35 -44.55 54.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.986 -1.071 . . . . 0.0 110.325 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.25 -50.0 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.067 -1.021 . . . . 0.0 109.086 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -60.0 -35.15 74.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.198 -0.939 . . . . 0.0 109.606 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -52.0 64.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.174 -0.954 . . . . 0.0 109.206 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.69 69.85 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.11 -0.994 . . . . 0.0 109.867 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -73.19 -38.17 66.24 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.074 -1.016 . . . . 0.0 110.236 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.97 -35.72 69.62 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.813 -1.179 . . . . 0.0 109.369 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.4 ttt -71.71 -43.82 65.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.777 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -77.18 -37.11 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.873 -1.142 . . . . 0.0 110.024 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -76.8 -46.65 24.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.964 -1.085 . . . . 0.0 111.285 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -79.26 -41.48 28.07 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.822 -1.174 . . . . 0.0 112.164 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -92.93 -27.35 17.13 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 120.57 -1.331 . . . . 0.0 110.264 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.48 166.68 35.14 Favored Glycine 0 N--CA 1.501 2.994 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 4.5 tm-20 -70.81 -31.52 68.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -1.056 . . . . 0.0 110.104 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.38 -53.46 14.03 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.976 -1.078 . . . . 0.0 110.459 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.1 -39.42 65.82 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.968 -1.083 . . . . 0.0 110.294 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.01 68.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.908 -1.12 . . . . 0.0 109.666 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 11.1 m0 -66.16 -50.38 64.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 109.022 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.7 69.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.051 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.5 mmm -76.08 -33.52 59.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -70.74 -39.73 73.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -0.988 . . . . 0.0 110.25 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.0 -52.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.083 -1.011 . . . . 0.0 110.381 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -57.38 -32.46 66.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 110.33 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.0 mt -72.8 -34.85 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 120.563 -1.336 . . . . 0.0 109.241 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.3 m-30 -57.09 -47.32 81.33 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.649 -1.282 . . . . 0.0 109.53 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.03 69.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.928 -1.107 . . . . 0.0 109.779 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -46.89 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 110.156 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -84.49 19.51 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.988 -1.07 . . . . 0.0 109.505 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 54.1 86.45 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 109.782 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.57 30.18 0.32 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -47.39 -29.11 2.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.679 -0.638 . . . . 0.0 110.841 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.93 -51.39 59.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.993 -1.067 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.3 tp -57.74 -25.64 60.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 109.797 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.31 -39.81 74.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.829 -1.169 . . . . 0.0 108.684 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.2 -40.13 80.78 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.196 -0.94 . . . . 0.0 109.184 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -74.46 -43.1 57.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.353 -0.842 . . . . 0.0 109.289 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -34.26 68.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.283 -0.886 . . . . 0.0 109.722 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.64 -27.51 65.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.283 -0.886 . . . . 0.0 109.735 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -78.83 -28.33 44.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.964 -1.085 . . . . 0.0 109.96 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 22.8 t70 -90.41 -5.5 56.05 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.035 -1.041 . . . . 0.0 109.698 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.9 pt-20 -56.35 120.33 34.72 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.04 -1.038 . . . . 0.0 109.15 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 CA--C 1.539 0.747 0 N-CA-C 109.314 -1.071 . . . . 0.0 109.314 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -65.24 -15.67 62.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 109.083 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -58.4 -47.75 82.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 0.0 109.519 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.5 -29.65 67.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.59 -48.46 48.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.157 -0.964 . . . . 0.0 110.206 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.07 -34.1 76.86 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.33 -27.81 63.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 108.839 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -66.56 -33.16 75.06 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.505 -0.747 . . . . 0.0 109.515 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.416 ' HH ' ' CB ' ' A' ' 88' ' ' ASP . 48.7 m-85 -75.16 -53.41 8.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.208 -0.933 . . . . 0.0 109.65 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.98 -26.25 65.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 108.853 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -81.9 -31.8 31.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.147 -0.971 . . . . 0.0 109.691 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.16 -1.12 38.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.921 -1.112 . . . . 0.0 110.736 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.18 156.6 19.61 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 108.618 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.33 150.23 48.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.849 . . . . 0.0 109.737 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.72 -47.73 81.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.0 110.352 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.95 -41.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.933 -1.104 . . . . 0.0 109.584 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -70.44 -29.23 65.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.021 . . . . 0.0 108.603 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.3 tp -65.1 -42.28 94.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.83 -45.69 91.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.429 -0.795 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -56.22 -32.81 64.77 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.1 -1.0 . . . . 0.0 109.642 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -65.09 -42.04 94.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.14 -0.975 . . . . 0.0 109.815 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -67.02 -48.76 67.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.908 -1.12 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt -59.9 -33.81 72.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.367 -0.833 . . . . 0.0 109.098 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -69.28 -30.85 69.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.442 -0.786 . . . . 0.0 109.742 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.74 -43.06 97.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.995 -1.066 . . . . 0.0 109.318 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 30' ' ' TYR . 2.2 mp0 -73.62 -29.55 62.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.056 -1.028 . . . . 0.0 109.01 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.25 3.15 0.96 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 109.792 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' H ' ' C ' ' A' ' 28' ' ' GLU . 33.5 t80 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 CA--C 1.538 0.708 0 N-CA-C 109.668 -0.935 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 9.6 mp -83.66 119.65 74.03 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.11 140.09 86.36 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 120.001 1.036 . . . . 0.0 109.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.01 -32.92 74.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.293 -0.879 . . . . 0.0 109.178 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.45 -24.74 67.96 Favored Glycine 0 N--CA 1.502 3.058 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -74.44 -35.95 63.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.029 -1.277 . . . . 0.0 110.599 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 p -72.2 -55.76 6.69 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.864 -1.147 . . . . 0.0 110.561 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.59 -38.02 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 110.029 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.55 -17.06 62.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.77 -1.206 . . . . 0.0 108.787 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.08 139.06 31.47 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.542 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.35 170.36 16.5 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.285 -0.885 . . . . 0.0 108.904 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -57.46 -47.23 82.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.992 -1.067 . . . . 0.0 109.555 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.94 -49.04 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.053 -1.029 . . . . 0.0 108.597 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -34.69 72.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.286 -0.884 . . . . 0.0 109.501 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.1 -51.18 67.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.952 . . . . 0.0 109.442 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.97 69.43 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.163 -0.961 . . . . 0.0 109.625 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.9 m -73.24 -35.36 66.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.079 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.2 -34.91 68.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.883 -1.136 . . . . 0.0 109.165 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.43 -39.83 70.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.013 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.53 -41.5 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.767 -1.208 . . . . 0.0 110.079 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -77.2 -48.0 18.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.931 -1.106 . . . . 0.0 111.323 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -76.89 -41.81 42.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.997 -1.065 . . . . 0.0 112.112 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' SD ' ' A' ' 68' ' ' MET . 0.4 OUTLIER -93.11 -27.16 17.1 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.686 -1.259 . . . . 0.0 110.122 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.42 159.76 28.05 Favored Glycine 0 N--CA 1.504 3.191 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -70.66 -31.25 68.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -1.06 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -71.23 -52.91 16.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.077 -1.014 . . . . 0.0 110.419 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.68 -40.71 63.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.063 -1.023 . . . . 0.0 110.163 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.7 23.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.904 -1.122 . . . . 0.0 110.315 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.054 -1.029 . . . . 0.0 109.101 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.52 70.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.817 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.422 ' SD ' ' OD1' ' A' ' 60' ' ' ASN . 7.5 mtt -75.97 -32.63 59.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.146 -0.971 . . . . 0.0 109.197 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.98 -44.65 79.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 109.898 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.7 -39.23 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.14 -0.975 . . . . 0.0 110.088 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -67.3 -33.96 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.076 -1.015 . . . . 0.0 110.007 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.1 mt -72.83 -34.15 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 120.652 -1.28 . . . . 0.0 108.628 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.803 -1.185 . . . . 0.0 109.543 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.41 69.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 109.834 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -61.97 -43.15 99.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.115 -0.991 . . . . 0.0 109.673 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -72.95 14.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.087 -1.008 . . . . 0.0 108.887 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.599 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER 55.72 5.37 0.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 110.173 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 76' ' ' ILE . 14.4 mtt-85 -81.11 55.19 2.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.051 -1.031 . . . . 0.0 108.567 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' NH1' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -54.96 -29.42 56.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.39 -0.819 . . . . 0.0 110.187 -179.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -59.23 -42.85 92.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.765 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.47 -26.11 68.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.405 ' CD2' ' NH2' ' A' ' 79' ' ' ARG . 84.0 t80 -71.58 -33.87 69.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.771 -1.206 . . . . 0.0 109.004 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.29 -41.98 99.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.175 -0.953 . . . . 0.0 108.734 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.61 -49.89 19.91 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.475 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.53 -31.54 62.18 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.839 . . . . 0.0 109.748 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -66.34 -27.69 68.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 109.659 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.42 -28.45 52.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.96 -1.087 . . . . 0.0 109.805 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.416 ' CB ' ' HH ' ' A' ' 11' ' ' TYR . 50.7 t0 -88.39 -4.63 58.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.006 -1.058 . . . . 0.0 109.733 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.7 pt-20 -56.37 122.39 49.25 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.1 -1.0 . . . . 0.0 109.018 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.539 0.756 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -35.16 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.209 -0.932 . . . . 0.0 108.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -52.76 -47.57 67.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.269 -0.894 . . . . 0.0 109.817 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.4 -32.13 69.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.268 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HZ1' ' CG ' ' A' ' 88' ' ' ASP . 17.2 tptm -65.47 -47.02 77.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.378 -0.827 . . . . 0.0 109.762 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.81 -33.38 74.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.058 -1.026 . . . . 0.0 109.015 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.86 77.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.965 -1.085 . . . . 0.0 109.469 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -68.93 -33.67 74.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.411 -0.806 . . . . 0.0 109.798 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.66 -55.15 5.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.954 -1.091 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.0 -26.65 62.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.105 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.45 -25.64 35.94 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.141 -0.974 . . . . 0.0 108.845 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.23 -1.71 2.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.729 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -96.26 156.05 16.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.172 -0.955 . . . . 0.0 109.337 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -65.54 150.67 48.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.442 -0.786 . . . . 0.0 109.195 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.51 -47.3 66.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.0 110.113 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.75 -39.44 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.132 -0.98 . . . . 0.0 109.583 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.29 -29.34 69.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.026 -1.046 . . . . 0.0 108.99 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.19 -38.81 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 108.781 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 6.4 ttpm? -68.75 -38.85 80.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.022 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 50.2 mttp -67.68 -27.84 67.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.113 -0.992 . . . . 0.0 109.184 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -67.1 -42.32 84.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 109.377 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -69.44 -43.44 73.31 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.421 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.5 -34.17 68.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 0.0 109.581 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -65.91 -37.6 86.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.184 -0.947 . . . . 0.0 109.103 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.05 -32.12 73.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.123 -0.985 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.38 -14.16 60.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.653 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.1 52.76 1.97 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.508 -0.745 . . . . 0.0 109.34 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.644 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo . . . . . 0 CA--C 1.541 0.833 0 N-CA-C 109.6 -0.961 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.74 122.35 60.81 Favored Pre-proline 0 N--CA 1.499 1.992 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.08 133.45 41.08 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 120.03 1.046 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -65.13 -44.66 87.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.14 -34.67 74.13 Favored Glycine 0 N--CA 1.505 3.247 0 C-N-CA 119.8 -1.19 . . . . 0.0 110.562 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.81 -41.19 60.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.75 -1.441 . . . . 0.0 110.059 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.4 m -66.75 -45.59 78.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.866 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.52 -38.55 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.01 -1.056 . . . . 0.0 109.534 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.82 -17.41 62.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.837 -1.164 . . . . 0.0 109.065 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.13 127.83 34.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 0.0 109.581 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -79.96 168.24 19.46 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.184 -0.948 . . . . 0.0 108.448 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.635 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 2.2 p-80 -48.47 -40.95 28.18 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.915 -1.116 . . . . 0.0 110.596 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.0 -47.79 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.127 -0.983 . . . . 0.0 109.284 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.66 -35.07 79.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 0.0 109.805 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.48 -51.65 67.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.117 -0.989 . . . . 0.0 109.023 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.74 67.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 109.909 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.2 m -72.74 -36.33 67.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.123 -0.986 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -70.99 -34.66 71.58 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.9 -1.125 . . . . 0.0 108.84 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mmm -66.85 -40.1 87.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 109.293 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.29 -40.49 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.97 -1.081 . . . . 0.0 110.462 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.91 -46.6 23.81 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.725 -1.234 . . . . 0.0 111.555 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -72.7 -42.29 64.36 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.955 -1.091 . . . . 0.0 112.548 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -99.44 -27.68 13.62 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 120.76 -1.213 . . . . 0.0 110.787 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.45 165.65 24.56 Favored Glycine 0 N--CA 1.505 3.269 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.65 -34.18 71.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -1.137 . . . . 0.0 109.969 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.93 -52.43 20.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.314 -0.866 . . . . 0.0 110.975 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.48 -37.96 74.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.911 -1.118 . . . . 0.0 109.972 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -52.22 60.23 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.929 -1.107 . . . . 0.0 110.218 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -59.25 -47.41 85.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 108.954 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.85 -37.92 66.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.6 mtp -77.14 -32.5 56.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.9 70.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.9 . . . . 0.0 110.679 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.1 m -75.85 -41.13 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.948 -1.095 . . . . 0.0 110.721 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -66.79 -30.04 70.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.057 -1.027 . . . . 0.0 110.307 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.0 mt -72.86 -41.9 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.655 -1.278 . . . . 0.0 109.661 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -56.99 -46.96 81.89 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.322 -1.486 . . . . 0.0 109.749 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -28.02 68.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.938 -1.102 . . . . 0.0 109.809 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -65.35 -46.8 78.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.124 -0.985 . . . . 0.0 110.269 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.14 19.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.127 -0.983 . . . . 0.0 108.537 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 75' ' ' ALA . 37.2 m-80 58.83 16.92 4.83 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.64 -0.662 . . . . 0.0 110.109 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 52.75 1.44 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.121 -0.987 . . . . 0.0 108.571 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -53.09 -36.97 61.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.761 . . . . 0.0 110.977 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.84 -48.64 70.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.839 -1.163 . . . . 0.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -26.55 61.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 108.845 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.99 -35.17 62.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.476 -1.39 . . . . 0.0 109.525 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -60.71 -44.89 96.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.966 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.29 -34.28 61.29 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.984 -1.072 . . . . 0.0 110.145 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.86 70.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 110.179 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -28.44 64.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.047 . . . . 0.0 109.413 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.31 -24.82 62.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.087 -1.008 . . . . 0.0 109.95 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.473 ' CG ' ' HZ1' ' A' ' 7' ' ' LYS . 19.5 t70 -96.15 -3.25 44.81 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.243 -0.911 . . . . 0.0 110.147 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.78 117.08 31.8 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.093 -1.005 . . . . 0.0 108.358 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 CA--C 1.539 0.746 0 N-CA-C 109.404 -1.037 . . . . 0.0 109.404 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.2 m -66.05 -19.56 65.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.321 -0.862 . . . . 0.0 109.195 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -57.13 -49.77 74.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.93 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.0 m -68.64 -28.34 66.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.159 -0.963 . . . . 0.0 109.412 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -69.02 -45.53 70.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.19 -46.07 90.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.137 -0.977 . . . . 0.0 108.437 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.07 82.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.009 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -55.76 -33.21 64.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.387 -0.821 . . . . 0.0 109.785 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -77.57 -56.34 4.61 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.104 -0.998 . . . . 0.0 109.919 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 -26.16 64.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.945 -1.097 . . . . 0.0 108.919 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.5 -25.73 38.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -80.89 -4.49 55.03 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.189 -0.945 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.16 169.41 10.42 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 120.826 -1.171 . . . . 0.0 109.639 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.45 149.99 49.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.594 -0.691 . . . . 0.0 109.617 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.27 -40.52 74.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.897 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.97 -32.39 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.12 -0.987 . . . . 0.0 109.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.8 -29.34 66.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.928 -1.108 . . . . 0.0 108.218 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -45.73 91.12 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.56 -38.16 88.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.83 -0.543 . . . . 0.0 110.976 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.15 -28.0 64.99 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.826 -1.171 . . . . 0.0 110.122 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -68.6 -40.7 80.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.912 -1.118 . . . . 0.0 109.592 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.65 -48.15 64.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.134 . . . . 0.0 108.752 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.425 ' SD ' ' OD2' ' A' ' 29' ' ' ASP . 12.5 tmm? -51.64 -33.92 35.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.58 -0.7 . . . . 0.0 109.759 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.31 -43.42 81.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.256 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.46 -31.26 62.19 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.052 -1.03 . . . . 0.0 109.052 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.8 -17.85 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' OD2' ' SD ' ' A' ' 25' ' ' MET . 30.2 p30 -143.74 52.0 1.33 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.309 -0.869 . . . . 0.0 109.462 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.738 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo . . . . . 0 CA--C 1.538 0.719 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.2 mm? -82.69 119.33 74.33 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.72 133.34 50.62 Favored 'Trans proline' 0 C--O 1.21 -0.913 0 CA-C-N 119.987 1.031 . . . . 0.0 109.601 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -65.54 -31.59 72.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.311 -0.868 . . . . 0.0 110.058 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.3 -40.32 22.26 Favored Glycine 0 N--CA 1.507 3.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.666 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' ALA . 17.0 pt20 -74.33 -39.72 62.66 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.473 -1.604 . . . . 0.0 110.25 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.681 ' HG1' ' H ' ' A' ' 45' ' ' GLU . 30.6 p -55.8 -55.69 29.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.681 ' H ' ' HG1' ' A' ' 44' ' ' THR . 22.4 pt-20 -61.65 -39.08 90.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.066 -1.021 . . . . 0.0 109.6 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -77.42 -16.68 58.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.923 -1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -79.54 124.33 28.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.194 -0.941 . . . . 0.0 109.787 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -80.32 174.14 11.89 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.151 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -53.34 -45.25 69.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.881 -1.137 . . . . 0.0 109.99 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.16 -52.38 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.013 -1.054 . . . . 0.0 108.77 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.14 -34.3 68.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.693 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -55.58 -50.21 70.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.944 -1.097 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.96 70.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 109.6 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.6 m -70.57 -36.1 73.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.147 -0.97 . . . . 0.0 110.133 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.89 -34.86 69.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.942 -1.099 . . . . 0.0 109.059 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.63 -41.65 71.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.0 109.761 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.7 mt -77.74 -38.43 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 120.845 -1.159 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.08 -46.16 24.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.886 -1.134 . . . . 0.0 111.607 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -77.25 -42.28 37.83 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.92 -1.112 . . . . 0.0 112.116 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -94.66 -27.3 15.94 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 120.61 -1.306 . . . . 0.0 110.351 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.86 163.55 28.96 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.39 -33.7 71.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.212 -1.169 . . . . 0.0 109.892 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.73 -52.77 22.52 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.006 . . . . 0.0 110.494 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -72.27 -38.27 68.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.918 -1.114 . . . . 0.0 110.583 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -55.67 24.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.845 -1.159 . . . . 0.0 110.251 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -57.48 -38.87 75.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.078 -1.014 . . . . 0.0 108.973 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.37 88.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.203 -0.936 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.98 -32.56 59.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.253 -0.904 . . . . 0.0 109.114 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -58.55 -37.77 76.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.85 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.07 -54.82 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.254 -0.904 . . . . 0.0 110.224 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -54.41 -29.69 49.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.826 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.47 -42.28 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.353 0 O-C-N 120.479 -1.388 . . . . 0.0 109.985 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -56.48 -46.76 80.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.388 -1.445 . . . . 0.0 109.779 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.84 68.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.99 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.952 . . . . 0.0 110.402 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.74 19.29 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 121.048 -1.033 . . . . 0.0 109.363 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 59.02 82.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 0.0 110.277 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -155.53 33.92 0.37 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 79' ' ' ARG . 4.6 ptt-85 -47.6 -29.01 2.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.17 -32.01 65.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.917 -1.114 . . . . 0.0 109.274 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.5 tp -69.62 -26.52 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.15 -34.1 68.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.71 -1.244 . . . . 0.0 108.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.91 -44.05 86.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -76.56 -36.43 57.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.916 -1.115 . . . . 0.0 110.109 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.73 80.35 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.214 -0.929 . . . . 0.0 111.044 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -28.57 70.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.744 -1.223 . . . . 0.0 109.432 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.98 -30.27 62.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.127 -0.983 . . . . 0.0 109.563 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -98.92 -5.24 31.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.353 -0.842 . . . . 0.0 109.689 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -56.96 115.14 9.5 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.207 -0.933 . . . . 0.0 109.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.0 m -83.92 -22.41 31.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.247 -0.908 . . . . 0.0 109.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -69.67 -42.53 74.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.242 -0.911 . . . . 0.0 109.673 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -71.64 -40.25 69.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 109.987 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.46 -49.33 27.37 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.15 -0.969 . . . . 0.0 110.141 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.48 -33.23 72.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.925 -1.109 . . . . 0.0 109.373 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.01 72.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -33.08 74.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 109.44 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.0 -52.62 40.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 109.07 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -61.19 -30.56 70.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.262 -0.898 . . . . 0.0 108.733 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 15' ' ' LEU . 46.8 mt-10 -82.51 -28.29 31.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.323 -0.86 . . . . 0.0 109.274 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.31 0.98 0.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.011 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 13' ' ' GLU . 28.1 mt -87.51 162.66 17.1 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.831 -1.168 . . . . 0.0 109.605 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 21.4 mp0 -69.89 156.23 39.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.444 -0.785 . . . . 0.0 109.391 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.17 -42.24 80.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.797 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.77 -39.66 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.209 -0.932 . . . . 0.0 109.599 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -71.57 -29.11 64.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.55 -38.22 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.202 -0.936 . . . . 0.0 109.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -40.36 72.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 0.0 110.244 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 6.2 mptp? -64.37 -33.7 76.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.127 -0.983 . . . . 0.0 109.233 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -66.21 -39.43 89.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.992 -1.068 . . . . 0.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.85 -42.04 81.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.971 -1.081 . . . . 0.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.2 ttm -66.77 -35.96 81.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.14 -0.975 . . . . 0.0 109.869 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 26.0 m80 -69.34 -38.64 78.26 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.178 -0.951 . . . . 0.0 109.274 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 tp -74.18 -32.08 62.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.959 -1.088 . . . . 0.0 109.168 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.46 -35.01 75.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.266 -0.896 . . . . 0.0 110.108 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -100.57 51.44 0.88 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.39 -0.819 . . . . 0.0 109.677 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.057 -1.027 . . . . 0.0 108.865 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 CA--C 1.538 0.701 0 N-CA-C 109.64 -0.946 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.97 119.66 70.52 Favored Pre-proline 0 N--CA 1.496 1.871 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.44 144.17 84.59 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 CA-C-N 120.001 1.036 . . . . 0.0 109.713 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.27 -34.49 78.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 0.0 109.514 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.02 -24.9 55.72 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -74.51 -51.83 13.61 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.938 -1.33 . . . . 0.0 109.955 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.6 p -63.17 -49.34 74.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 109.989 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.1 -40.37 97.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.749 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -78.27 -17.48 56.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.503 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.17 130.07 39.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.206 -0.933 . . . . 0.0 109.627 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.24 167.68 20.0 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -51.91 -41.61 62.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 110.1 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.12 -48.97 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.04 -1.038 . . . . 0.0 108.97 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.38 -35.91 76.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 109.764 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.91 -51.95 67.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.024 -1.047 . . . . 0.0 109.078 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.71 69.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.007 -1.058 . . . . 0.0 109.614 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.3 m -72.27 -33.55 67.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.176 -0.952 . . . . 0.0 110.041 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.7 -34.4 69.59 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 108.851 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mmm -68.35 -41.56 80.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.936 . . . . 0.0 109.537 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.8 mt -78.05 -40.13 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.958 -1.089 . . . . 0.0 110.27 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.95 -44.85 29.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.782 -1.199 . . . . 0.0 111.372 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -73.15 -41.71 63.62 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.935 -1.103 . . . . 0.0 112.162 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -100.8 -27.47 13.33 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.811 -1.181 . . . . 0.0 111.025 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.13 165.26 24.83 Favored Glycine 0 N--CA 1.505 3.28 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.85 -37.06 73.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.08 -1.247 . . . . 0.0 110.476 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.65 -53.13 14.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.992 -1.068 . . . . 0.0 110.698 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.68 -38.02 80.02 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.018 -1.052 . . . . 0.0 110.476 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.23 -40.56 74.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.847 -1.158 . . . . 0.0 109.578 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -64.53 -37.66 88.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.0 108.902 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.3 88.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.903 . . . . 0.0 109.905 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.83 -37.22 59.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.092 -1.005 . . . . 0.0 109.246 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -63.41 -41.25 98.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.265 -0.897 . . . . 0.0 109.313 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -75.8 -41.91 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.82 . . . . 0.0 109.903 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -64.68 -34.04 77.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.9 -1.125 . . . . 0.0 110.01 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.91 -33.68 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.65 -1.281 . . . . 0.0 108.837 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' ' NH2' ' A' ' 78' ' ' ARG . 4.0 m-30 -56.81 -47.18 80.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.857 -1.152 . . . . 0.0 109.853 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.86 69.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.826 -1.171 . . . . 0.0 109.972 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.86 77.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.164 -0.96 . . . . 0.0 110.532 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 pt -90.03 19.64 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.022 -1.049 . . . . 0.0 109.712 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 1.6 m120 58.67 91.92 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.481 -0.762 . . . . 0.0 110.857 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.559 ' NH2' ' CE2' ' A' ' 73' ' ' PHE . 53.3 mtp180 -144.81 29.21 1.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -47.31 -37.44 10.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.586 -0.696 . . . . 0.0 110.606 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.4 -54.19 8.11 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.125 -0.984 . . . . 0.0 110.098 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -26.52 62.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.182 -0.949 . . . . 0.0 109.125 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.83 -38.61 73.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.957 -1.089 . . . . 0.0 108.773 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.4 -40.64 82.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.138 -0.976 . . . . 0.0 109.254 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.52 -43.63 54.97 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.347 -0.845 . . . . 0.0 109.39 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.98 72.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.02 -27.5 68.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -75.55 -29.29 59.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.937 -1.102 . . . . 0.0 109.562 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.23 -12.63 34.69 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.11 -0.994 . . . . 0.0 109.706 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.45 109.57 1.7 Allowed Pre-proline 0 N--CA 1.504 2.266 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.496 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 CA--C 1.539 0.732 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 m -78.83 -20.55 49.4 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.267 -0.895 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -56.91 -51.17 70.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.183 -0.948 . . . . 0.0 109.747 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.3 m -71.38 -23.79 61.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.183 -0.948 . . . . 0.0 109.837 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -73.65 -52.02 14.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.203 -0.935 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.64 -34.56 75.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.032 -1.042 . . . . 0.0 109.48 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.45 80.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.19 -0.944 . . . . 0.0 108.913 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -57.06 -33.1 66.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 109.531 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -70.89 -52.99 16.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.687 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.73 -28.71 68.88 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.446 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -81.71 -24.45 36.17 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.317 -0.865 . . . . 0.0 108.816 179.061 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.81 -2.04 11.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.169 -0.957 . . . . 0.0 110.025 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.15 159.41 15.03 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 121.022 -1.048 . . . . 0.0 109.386 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.54 159.49 24.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.4 -0.813 . . . . 0.0 109.788 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -47.3 86.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.328 -0.857 . . . . 0.0 109.888 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -32.51 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.982 -1.074 . . . . 0.0 109.132 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.42 -29.24 65.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.979 -1.075 . . . . 0.0 108.41 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.9 -31.39 70.27 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.87 -32.49 70.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.674 -0.641 . . . . 0.0 109.926 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.18 -27.98 59.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.104 -0.997 . . . . 0.0 109.779 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -71.9 -40.33 68.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.982 -1.074 . . . . 0.0 110.092 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -69.86 -46.21 66.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 109.946 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.4 ttm -58.75 -40.67 84.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.586 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.422 ' N ' ' HD1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -70.25 -31.06 68.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.189 -0.944 . . . . 0.0 109.72 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.66 -52.43 31.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.145 -0.972 . . . . 0.0 109.965 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 30' ' ' TYR . 11.5 pt-20 -65.73 -36.26 83.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.0 109.961 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -78.4 36.48 0.25 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.067 -1.021 . . . . 0.0 109.713 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.408 ' H ' ' C ' ' A' ' 28' ' ' GLU . 65.5 t80 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.185 -0.947 . . . . 0.0 109.007 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo . . . . . 0 C--O 1.215 -0.659 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.5 119.73 75.65 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.12 133.89 57.54 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 CA-C-N 119.921 1.008 . . . . 0.0 109.988 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -64.46 -32.1 73.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.662 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.41 93.46 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.564 -1.303 . . . . 0.0 110.265 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -75.05 -39.31 61.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.705 -1.468 . . . . 0.0 109.873 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.9 m -63.7 -52.5 60.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.009 . . . . 0.0 109.893 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.79 -36.67 85.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.995 -1.065 . . . . 0.0 109.447 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -70.57 -15.41 62.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.825 -1.172 . . . . 0.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.68 131.48 36.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.273 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 34.6 t70 -80.13 -179.9 7.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.235 -0.915 . . . . 0.0 109.294 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.478 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 27.1 m-70 -60.28 -47.77 84.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.606 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.17 -48.19 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.95 -1.094 . . . . 0.0 108.742 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.59 -34.47 75.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.64 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.45 -51.19 65.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.35 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.83 69.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.237 -0.914 . . . . 0.0 109.575 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.9 m -70.35 -35.65 73.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.061 -1.025 . . . . 0.0 110.122 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.12 -34.76 71.37 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.038 -1.039 . . . . 0.0 109.118 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 91.2 mtp -71.49 -41.82 68.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.951 . . . . 0.0 109.628 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.8 mt -77.93 -36.97 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.848 -1.158 . . . . 0.0 110.161 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 -46.15 25.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.71 -1.244 . . . . 0.0 111.51 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -78.78 -42.3 28.28 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.809 -1.182 . . . . 0.0 112.563 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.624 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.8 OUTLIER -96.47 -27.42 14.89 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.666 -1.271 . . . . 0.0 110.655 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.22 165.78 29.95 Favored Glycine 0 N--CA 1.503 3.119 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.88 -30.96 67.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -1.193 . . . . 0.0 110.13 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.51 -52.81 19.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.224 -0.923 . . . . 0.0 110.757 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -73.34 -41.52 63.36 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.911 -1.118 . . . . 0.0 110.15 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.48 69.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.836 -1.165 . . . . 0.0 109.874 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -57.5 -46.56 83.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.249 -0.907 . . . . 0.0 109.055 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.84 71.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.127 -0.983 . . . . 0.0 109.972 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mtp -75.85 -32.61 59.84 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.201 -0.937 . . . . 0.0 109.361 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.69 -37.84 85.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.178 -0.951 . . . . 0.0 109.818 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.01 -48.11 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.182 -0.949 . . . . 0.0 110.311 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.01 -33.06 72.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.046 . . . . 0.0 110.429 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.0 mt -72.92 -34.35 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 120.516 -1.365 . . . . 0.0 109.044 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.8 m-30 -57.24 -47.3 81.72 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.868 -1.145 . . . . 0.0 109.76 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.17 69.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.905 -1.122 . . . . 0.0 109.845 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.73 80.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.12 -0.987 . . . . 0.0 110.089 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -83.98 18.76 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.119 -0.988 . . . . 0.0 109.684 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 56.04 83.72 0.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.339 -0.851 . . . . 0.0 109.721 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -159.3 30.53 0.2 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -50.26 -32.42 16.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.672 -0.643 . . . . 0.0 111.093 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -58.58 -40.62 83.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.673 -1.267 . . . . 0.0 109.545 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.36 -25.95 67.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.929 . . . . 0.0 110.18 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -70.25 -35.93 74.12 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.695 -1.253 . . . . 0.0 108.54 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -62.39 -42.95 99.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.126 -0.984 . . . . 0.0 108.758 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.09 -44.53 63.09 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.84 -32.1 51.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -70.78 -27.7 64.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 87' ' ' ARG . 1.9 mmt-85 -78.87 -28.49 44.19 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.828 -1.17 . . . . 0.0 109.874 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.33 -3.46 50.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 109.502 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.6 109.49 1.59 Allowed Pre-proline 0 N--CA 1.503 2.192 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.15 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 C--O 1.214 -0.723 0 N-CA-C 109.452 -1.018 . . . . 0.0 109.452 -179.661 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.4 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 m -67.49 -20.12 65.42 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -60.43 -51.09 70.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 0.0 109.74 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 3' ' ' SER . 20.0 p -70.62 -27.71 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.09 -43.13 68.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.191 -0.943 . . . . 0.0 109.681 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.42 -43.85 80.23 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.232 -0.918 . . . . 0.0 108.881 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -39.82 93.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.877 -1.139 . . . . 0.0 108.872 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -57.24 -33.08 67.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.22 -55.26 11.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.159 -0.963 . . . . 0.0 109.365 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.36 -26.56 68.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.067 -1.021 . . . . 0.0 108.753 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.34 -30.08 33.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.423 -0.798 . . . . 0.0 109.434 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.69 -2.41 9.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.973 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.27 168.38 11.13 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.917 -1.114 . . . . 0.0 109.038 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.82 164.37 26.13 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.321 -0.862 . . . . 0.0 109.062 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.58 -47.34 76.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.15 -33.02 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.961 -1.087 . . . . 0.0 108.819 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.24 -29.22 67.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.978 -1.076 . . . . 0.0 108.18 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.57 -31.21 71.78 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -66.19 -43.24 87.4 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.676 -0.64 . . . . 0.0 109.974 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 2.1 mptm? -63.49 -29.72 70.96 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.153 -0.967 . . . . 0.0 109.32 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.95 -43.25 71.95 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.888 -1.132 . . . . 0.0 109.978 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.37 -47.15 51.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.984 -1.073 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.6 ttt -58.13 -38.82 77.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 109.573 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 2.3 m80 -69.95 -31.18 68.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.111 -0.993 . . . . 0.0 109.338 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.06 -41.64 86.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.108 -0.995 . . . . 0.0 109.322 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.01 -31.96 72.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -89.62 29.54 1.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.2 -0.938 . . . . 0.0 109.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 t80 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 108.895 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 CA--C 1.539 0.755 0 N-CA-C 109.908 -0.843 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.15 123.41 88.01 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -52.29 135.77 53.99 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 CA-C-N 120.024 1.044 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.458 HH12 ' CD ' ' A' ' 45' ' ' GLU . 2.4 ttt-85 -63.9 -48.67 75.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.82 -29.4 50.13 Favored Glycine 0 N--CA 1.504 3.202 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -75.06 -40.07 60.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.069 -1.253 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -69.84 -46.97 64.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.214 -0.929 . . . . 0.0 109.758 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' CD ' HH12 ' A' ' 41' ' ' ARG . 70.2 mm-40 -59.89 -39.65 86.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.967 -1.083 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -75.2 -14.76 60.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.904 -1.123 . . . . 0.0 109.147 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.22 126.05 30.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.224 -0.923 . . . . 0.0 109.617 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.35 169.63 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 109.089 179.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.664 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 1.9 p-80 -52.16 -44.87 64.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.121 -0.987 . . . . 0.0 110.101 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -68.71 -49.61 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.147 -0.97 . . . . 0.0 108.871 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -34.13 70.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.357 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -51.67 66.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.043 -1.035 . . . . 0.0 108.977 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.79 65.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 m -73.81 -33.34 64.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.099 -1.0 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.95 -34.72 69.22 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.91 -1.119 . . . . 0.0 108.799 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.7 mmm -70.96 -42.98 69.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 109.642 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -77.81 -38.03 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.962 -1.086 . . . . 0.0 110.23 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -76.87 -42.33 40.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.875 -1.141 . . . . 0.0 111.546 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -83.24 -41.94 17.78 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.794 -1.191 . . . . 0.0 112.548 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -98.53 -27.88 13.84 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.29 176.33 39.01 Favored Glycine 0 N--CA 1.504 3.215 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 36.2 mp0 -70.94 -44.49 66.01 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.334 -1.098 . . . . 0.0 110.865 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -64.17 -49.27 72.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.802 -1.186 . . . . 0.0 112.041 -177.36 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 88.9 mttt -73.83 -42.18 61.23 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.346 -1.471 . . . . 0.0 109.661 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.66 -50.39 65.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.917 -1.114 . . . . 0.0 110.287 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -60.58 -35.3 75.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.125 -0.985 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.15 88.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.225 -0.922 . . . . 0.0 109.718 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.9 mtp -76.36 -32.31 58.55 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.219 -0.926 . . . . 0.0 109.295 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.77 81.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.913 . . . . 0.0 110.319 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.67 -40.42 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.114 -0.991 . . . . 0.0 110.234 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -65.98 -29.55 69.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.198 -0.938 . . . . 0.0 110.408 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.27 -42.25 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.506 -1.371 . . . . 0.0 109.621 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -56.84 -47.41 80.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.332 -1.48 . . . . 0.0 109.769 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.68 68.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.727 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.78 64.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 110.799 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.52 18.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.795 -1.19 . . . . 0.0 110.411 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.38 75.44 0.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.157 -0.965 . . . . 0.0 109.738 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -143.49 45.47 1.51 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -46.24 -32.94 3.34 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -54.53 -40.66 68.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.992 -1.068 . . . . 0.0 109.693 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.77 -25.36 66.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.824 . . . . 0.0 109.031 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -67.29 -33.77 75.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.861 -1.15 . . . . 0.0 109.176 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.66 -47.27 48.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.899 . . . . 0.0 110.365 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -74.58 -36.61 63.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.107 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.62 76.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.959 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -70.66 -27.48 64.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.174 -0.954 . . . . 0.0 110.092 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -83.71 -27.32 29.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.848 -1.157 . . . . 0.0 110.247 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -86.07 -2.63 58.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.019 -1.051 . . . . 0.0 110.02 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.33 114.8 8.37 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 121.099 -1.001 . . . . 0.0 108.464 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.537 ' HG ' ' H ' ' A' ' 4' ' ' THR . 10.2 t . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.537 ' H ' ' HG ' ' A' ' 3' ' ' SER . 5.0 m -67.78 -23.09 65.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.077 -1.014 . . . . 0.0 108.826 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 5' ' ' ARG . 20.5 mtt-85 -60.28 -51.02 71.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 109.523 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 3' ' ' SER . 20.5 p -59.68 -34.05 72.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.244 -0.91 . . . . 0.0 109.3 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.84 -51.83 55.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.296 -0.878 . . . . 0.0 109.467 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.19 -32.58 48.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.907 -1.12 . . . . 0.0 109.643 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.54 79.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.205 -0.934 . . . . 0.0 110.069 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.6 -33.82 73.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.157 -0.964 . . . . 0.0 110.054 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -72.07 -43.67 64.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -73.52 -26.75 61.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.097 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -81.79 -27.51 33.68 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -61.48 -5.63 1.88 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 109.852 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.33 160.44 26.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.209 -0.932 . . . . 0.0 109.788 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.57 161.72 30.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.499 -0.751 . . . . 0.0 109.406 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -47.67 81.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.955 . . . . 0.0 109.907 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.38 -32.45 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.023 -1.048 . . . . 0.0 108.96 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.02 -28.96 63.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.922 -1.111 . . . . 0.0 108.396 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -39.05 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.2 -39.84 78.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.267 -0.895 . . . . 0.0 110.371 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -66.69 -40.41 88.51 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.033 -1.042 . . . . 0.0 109.925 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -63.47 -44.39 94.58 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.28 -0.887 . . . . 0.0 109.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -72.91 -48.16 39.48 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.023 -1.048 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.81 -38.93 92.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 0.0 109.776 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -69.78 -31.0 68.69 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.02 -50.27 71.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.194 -0.941 . . . . 0.0 109.7 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.48 -26.95 64.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.078 -1.014 . . . . 0.0 110.103 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -76.53 15.36 0.63 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.076 -1.015 . . . . 0.0 110.08 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.4 t80 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.054 -1.029 . . . . 0.0 108.248 179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 CA--C 1.54 0.777 0 N-CA-C 109.688 -0.928 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 9.7 mp -75.97 119.59 77.86 Favored Pre-proline 0 N--CA 1.494 1.738 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -56.18 135.95 72.66 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 CA-C-N 119.903 1.001 . . . . 0.0 109.79 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -64.25 -31.71 73.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.356 -0.84 . . . . 0.0 109.714 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.15 95.13 Favored Glycine 0 N--CA 1.502 3.044 0 C-N-CA 119.571 -1.3 . . . . 0.0 110.112 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.27 -52.06 11.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.859 -1.377 . . . . 0.0 109.965 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.6 m -60.95 -35.16 76.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -0.982 . . . . 0.0 109.649 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.86 -42.14 73.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.207 -0.933 . . . . 0.0 109.328 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.21 -11.71 54.3 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.846 -1.159 . . . . 0.0 109.528 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 129.9 41.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.38 171.82 14.57 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.345 -0.847 . . . . 0.0 108.775 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -56.52 -45.38 81.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.007 -1.058 . . . . 0.0 109.735 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.31 -52.64 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.056 -1.028 . . . . 0.0 108.986 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.63 -35.87 71.06 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 109.671 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.33 -49.54 71.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.148 -0.97 . . . . 0.0 109.627 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -29.06 69.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.155 -0.966 . . . . 0.0 110.007 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -71.73 -34.34 69.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.972 -1.08 . . . . 0.0 110.032 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.43 -34.8 70.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.05 -1.031 . . . . 0.0 108.598 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 ttm -67.59 -40.67 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.332 -0.855 . . . . 0.0 109.65 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.0 -35.56 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.743 -1.223 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.82 -51.07 12.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.764 -1.21 . . . . 0.0 111.834 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.3 -41.91 38.92 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.543 -1.348 . . . . 0.0 112.371 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -92.69 -27.45 17.26 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 120.267 -1.52 . . . . 0.0 110.478 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 164.06 31.09 Favored Glycine 0 N--CA 1.503 3.16 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.02 -34.49 73.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 110.339 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -53.24 19.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.035 -1.041 . . . . 0.0 110.424 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -72.23 -37.83 69.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.972 -1.08 . . . . 0.0 110.431 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.51 -49.72 66.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.746 -1.221 . . . . 0.0 109.854 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 108.656 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.4 72.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.2 mmm -76.21 -34.37 59.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.128 -0.983 . . . . 0.0 109.072 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 73' ' ' PHE . . . -65.14 -41.45 94.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.21 -0.931 . . . . 0.0 110.094 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.71 -41.57 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.647 -1.283 . . . . 0.0 110.317 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -73.23 -30.24 63.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.061 -1.025 . . . . 0.0 111.296 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 tt -72.07 -45.62 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 120.515 -1.366 . . . . 0.0 109.783 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 69' ' ' ALA . 20.0 m-85 -56.82 -46.48 81.62 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.545 -1.347 . . . . 0.0 109.492 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.04 -28.03 55.71 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.775 -1.203 . . . . 0.0 110.081 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -64.67 -46.68 81.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.081 -1.012 . . . . 0.0 109.986 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.9 pt -79.88 19.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.098 -1.002 . . . . 0.0 109.428 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 75' ' ' ALA . 58.2 m-80 54.45 24.89 5.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.715 -0.616 . . . . 0.0 111.171 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -92.53 50.63 1.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.002 -1.061 . . . . 0.0 108.341 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.8 ttt-85 -55.18 -27.72 47.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.829 -0.544 . . . . 0.0 111.527 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -52.36 -46.56 66.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.697 -1.252 . . . . 0.0 110.876 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.78 -26.26 66.01 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.793 -1.192 . . . . 0.0 109.595 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -62.48 -33.75 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.508 -1.37 . . . . 0.0 108.787 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -72.65 -41.52 65.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.868 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -74.22 -52.81 11.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.974 -1.079 . . . . 0.0 110.099 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.68 -29.02 36.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.108 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -67.93 -27.53 66.7 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -79.81 -28.9 40.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.969 -1.082 . . . . 0.0 109.969 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.23 -2.78 58.07 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.06 -1.025 . . . . 0.0 109.739 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 10.2 pt-20 -55.74 120.05 29.86 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.184 -0.948 . . . . 0.0 108.999 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 N-CA-C 109.537 -0.986 . . . . 0.0 109.537 -179.813 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.259 0.552 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.64 -25.64 57.06 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.251 -0.906 . . . . 0.0 109.237 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -61.46 -39.4 90.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.664 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -70.49 -40.63 73.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.318 -0.864 . . . . 0.0 109.927 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.77 -51.84 30.49 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.157 -0.965 . . . . 0.0 109.945 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.56 -38.58 75.03 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.133 -0.979 . . . . 0.0 109.057 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.95 -27.82 63.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.153 -0.967 . . . . 0.0 109.492 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -69.98 -33.17 71.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 110.048 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -74.66 -53.64 8.92 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.058 -1.027 . . . . 0.0 109.631 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.27 -26.04 62.48 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.022 -1.049 . . . . 0.0 108.897 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.44 -22.18 38.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.168 -0.958 . . . . 0.0 108.962 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.03 -2.26 20.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.22 -0.925 . . . . 0.0 109.895 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.68 150.85 22.16 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.08 160.06 29.66 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.21 -47.51 85.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 109.938 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.64 -39.1 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -72.36 -29.13 63.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.62 -37.17 82.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.029 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 7.8 mtpm? -69.83 -32.94 71.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.074 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 9.9 mtpm? -70.09 -28.38 65.37 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.056 -1.028 . . . . 0.0 109.175 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -70.66 -39.35 73.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.997 -1.064 . . . . 0.0 109.379 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -65.7 -50.02 66.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.096 -1.002 . . . . 0.0 109.483 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.5 ttm -65.57 -34.66 78.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.862 . . . . 0.0 109.963 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -69.19 -31.01 69.33 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.178 -0.951 . . . . 0.0 109.41 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.05 -32.24 64.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.082 -1.011 . . . . 0.0 109.264 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 30' ' ' TYR . 96.7 mt-10 -70.73 -30.55 67.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.874 . . . . 0.0 109.752 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -74.41 35.98 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 109.619 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 28' ' ' GLU . 25.2 t80 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 108.517 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 C--O 1.214 -0.688 0 N-CA-C 109.378 -1.047 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -80.35 118.74 73.84 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -55.46 140.67 82.95 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 119.811 0.968 . . . . 0.0 109.821 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.54 -44.95 89.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.009 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -25.04 53.85 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.55 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.8 -52.51 11.23 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.407 . . . . 0.0 110.363 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -34.27 77.72 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.864 -1.147 . . . . 0.0 109.967 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.48 -40.37 77.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.778 -1.201 . . . . 0.0 109.443 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.35 -16.23 46.88 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.833 -1.167 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.35 129.42 39.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.006 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 16.8 m-20 -80.36 165.4 22.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.257 -0.902 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.659 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 10.2 p-80 -56.89 -31.96 65.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.181 -0.95 . . . . 0.0 110.442 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.22 -53.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.093 -1.004 . . . . 0.0 110.332 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 2.6 p30 -69.44 -34.35 74.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.989 -1.07 . . . . 0.0 109.769 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 11.7 tp -55.01 -51.23 66.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.906 -1.121 . . . . 0.0 109.625 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -29.08 70.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.177 -0.952 . . . . 0.0 109.965 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.6 m -75.51 -37.23 60.26 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.861 . . . . 0.0 110.646 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.17 -34.19 68.28 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.883 -1.136 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.6 ttt -65.38 -42.5 92.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.224 -0.923 . . . . 0.0 110.278 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.41 -40.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.464 0 O-C-N 120.682 -1.261 . . . . 0.0 110.481 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.72 -51.2 13.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.024 . . . . 0.0 111.481 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.55 -41.27 55.3 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.965 -1.085 . . . . 0.0 111.914 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -92.63 -27.31 17.39 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.687 -1.258 . . . . 0.0 109.659 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.24 142.89 8.45 Favored Glycine 0 N--CA 1.505 3.275 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.92 -40.38 97.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 0.0 109.256 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.43 -52.8 16.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.151 -0.968 . . . . 0.0 109.903 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -62.88 -38.33 90.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 109.877 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.52 -53.24 57.05 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.964 -1.085 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -53.95 -40.13 66.54 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.021 -1.049 . . . . 0.0 109.447 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.85 83.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.9 mmm -75.93 -32.43 59.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.087 -1.008 . . . . 0.0 109.035 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -69.16 -43.46 74.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.87 . . . . 0.0 110.401 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.6 m -75.65 -43.67 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.044 -1.035 . . . . 0.0 110.546 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -66.02 -32.76 74.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.944 -1.097 . . . . 0.0 109.956 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -72.48 -34.12 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 120.654 -1.279 . . . . 0.0 108.688 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.35 -47.51 81.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.805 -1.184 . . . . 0.0 109.793 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.96 68.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.937 -1.102 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -67.26 -40.9 86.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 0.0 110.423 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.67 5.25 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.015 -1.053 . . . . 0.0 109.012 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.477 ' CG ' HH22 ' A' ' 79' ' ' ARG . 4.2 t30 62.87 47.71 4.35 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.557 -0.714 . . . . 0.0 109.66 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 78' ' ' ARG . 15.9 mtt-85 -135.1 50.89 2.12 Favored 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.477 HH22 ' CG ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -54.4 -28.82 46.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.241 -0.912 . . . . 0.0 110.51 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.19 -46.53 72.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -26.63 68.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.623 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.09 -34.43 71.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.694 -1.254 . . . . 0.0 108.882 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.0 -41.42 98.03 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.2 -0.937 . . . . 0.0 108.758 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -74.8 -48.34 25.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.386 -0.821 . . . . 0.0 109.408 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.77 -33.64 56.5 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.278 -0.889 . . . . 0.0 109.428 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -67.74 -27.43 66.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -79.41 -29.92 42.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.898 -1.126 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -94.65 -4.18 48.11 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.225 -0.922 . . . . 0.0 109.799 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -54.87 109.32 1.51 Allowed Pre-proline 0 N--CA 1.503 2.216 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.514 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 109.325 -1.067 . . . . 0.0 109.325 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -68.29 -28.62 67.34 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -54.18 -42.49 69.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -67.84 -25.37 65.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.355 -0.841 . . . . 0.0 109.266 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -73.68 -46.3 47.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.333 -0.854 . . . . 0.0 110.043 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.04 -33.59 72.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.075 -1.016 . . . . 0.0 109.779 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.56 94.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.145 -0.972 . . . . 0.0 109.681 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.54 -32.94 74.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.91 -55.05 29.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.191 -0.943 . . . . 0.0 109.621 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.64 -26.2 61.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.978 -1.076 . . . . 0.0 108.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.34 -29.51 34.1 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.127 -0.983 . . . . 0.0 109.052 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -68.01 1.01 2.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.963 . . . . 0.0 109.725 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.2 158.77 15.94 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -65.37 162.59 17.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.388 -0.82 . . . . 0.0 109.884 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.07 -47.56 70.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 0.0 110.093 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.23 -40.0 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.953 -1.092 . . . . 0.0 109.155 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -63.28 -29.46 70.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.001 -1.062 . . . . 0.0 108.614 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.79 -31.33 71.89 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -65.38 -37.45 87.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.654 -0.654 . . . . 0.0 109.651 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -70.39 -28.13 64.85 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.072 -1.017 . . . . 0.0 109.617 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -67.84 -42.59 81.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.835 -1.166 . . . . 0.0 109.678 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -72.36 -47.8 46.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.049 -1.032 . . . . 0.0 109.613 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.75 -35.35 68.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 109.465 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -41.86 75.26 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.218 -0.927 . . . . 0.0 109.462 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.34 -31.71 62.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.179 -0.951 . . . . 0.0 108.817 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.88 -14.45 59.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.357 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -141.15 60.01 1.51 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.367 -0.833 . . . . 0.0 108.946 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 109.519 -0.993 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -75.56 125.13 88.98 Favored Pre-proline 0 N--CA 1.494 1.774 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -51.55 134.82 47.18 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 120.061 1.057 . . . . 0.0 109.888 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.453 HH11 ' CG ' ' A' ' 41' ' ' ARG . 8.4 mtt-85 -63.97 -32.0 73.39 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.988 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.75 94.78 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.305 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.72 -51.82 11.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.719 -1.46 . . . . 0.0 109.893 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.0 m -56.89 -46.5 81.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.295 -0.878 . . . . 0.0 110.474 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.33 -43.66 73.27 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.583 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -73.62 -17.29 61.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.973 -1.079 . . . . 0.0 109.665 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.42 133.52 55.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -80.32 168.07 19.48 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 109.084 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -53.22 -49.51 66.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 109.824 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.38 -46.25 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.029 -1.045 . . . . 0.0 108.743 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.11 -34.76 73.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.0 109.462 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -52.04 64.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.108 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.64 70.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.075 -1.016 . . . . 0.0 109.709 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.3 m -72.7 -33.1 66.26 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.151 -0.968 . . . . 0.0 110.261 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.19 -34.03 70.51 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.83 -1.169 . . . . 0.0 108.718 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.5 mtp -67.15 -40.53 86.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.389 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.5 -41.27 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.07 -1.019 . . . . 0.0 110.411 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.67 -41.23 46.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.671 -1.268 . . . . 0.0 111.416 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.83 -41.75 67.81 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.047 -1.033 . . . . 0.0 112.295 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -107.38 -27.54 10.4 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.999 -1.063 . . . . 0.0 111.184 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.07 167.93 22.24 Favored Glycine 0 N--CA 1.507 3.429 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -71.04 -35.74 72.08 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.081 -1.247 . . . . 0.0 110.623 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -71.69 -53.08 14.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -67.18 -38.52 85.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.099 -1.001 . . . . 0.0 109.788 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.72 -49.01 69.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.931 -1.106 . . . . 0.0 110.061 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -58.86 -47.8 83.61 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.079 -1.013 . . . . 0.0 109.044 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.31 -36.54 66.31 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 109.724 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 36.6 mmm -76.21 -33.95 59.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.314 -0.866 . . . . 0.0 109.134 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.412 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.4 -37.94 83.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.013 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.97 -55.16 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.182 -0.948 . . . . 0.0 110.398 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.8 -29.75 55.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 110.819 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 72' ' ' ILE . 43.7 mt -72.77 -41.94 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.346 0 O-C-N 120.605 -1.309 . . . . 0.0 109.912 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 6.6 m-85 -57.37 -47.13 82.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.269 -1.519 . . . . 0.0 109.719 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.93 -28.21 67.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.619 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.37 78.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.092 -1.005 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.4 pt -85.96 18.94 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 t30 58.88 77.97 0.28 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.58 -0.7 . . . . 0.0 110.604 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -154.01 36.04 0.44 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -48.05 -29.22 3.35 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.469 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.16 -29.2 63.44 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.966 -1.084 . . . . 0.0 109.324 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -72.11 -26.23 62.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.428 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -71.96 -34.74 69.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.722 -1.236 . . . . 0.0 108.573 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -66.42 -44.33 83.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.958 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.91 -36.8 62.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.124 -0.985 . . . . 0.0 109.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.25 69.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.37 -27.63 64.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.03 -30.48 28.05 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.838 -1.164 . . . . 0.0 110.17 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.92 -2.93 55.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.129 -0.982 . . . . 0.0 109.475 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.8 pt-20 -56.03 122.72 49.46 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.218 -0.926 . . . . 0.0 109.113 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.537 0.672 0 N-CA-C 109.482 -1.007 . . . . 0.0 109.482 -179.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.4 t . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.336 0.589 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -69.44 -14.24 62.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.306 -0.871 . . . . 0.0 109.022 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.41 -47.73 80.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.235 -0.916 . . . . 0.0 109.746 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 3' ' ' SER . 17.5 p -70.69 -30.9 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.003 . . . . 0.0 109.684 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.56 -46.34 69.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 110.022 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.35 -37.39 80.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.151 -0.968 . . . . 0.0 109.521 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.62 74.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 10' ' ' ARG . 3.7 ttt-85 -59.18 -33.55 71.08 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.474 -0.766 . . . . 0.0 109.62 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.56 -53.8 7.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.063 -1.023 . . . . 0.0 110.21 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -63.73 -26.47 68.66 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.032 -1.043 . . . . 0.0 109.276 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -81.12 -26.78 35.9 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.341 -0.85 . . . . 0.0 109.09 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.13 -2.72 25.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -87.19 161.23 18.17 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.72 -1.238 . . . . 0.0 109.441 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -70.32 161.35 30.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.473 -0.767 . . . . 0.0 109.83 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.44 -47.38 85.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.111 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.14 -38.61 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.475 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 35.8 t0 -72.7 -29.43 63.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.877 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.05 -36.28 79.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.979 -1.076 . . . . 0.0 108.688 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -72.42 -42.31 65.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -62.98 -48.83 77.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.286 -0.883 . . . . 0.0 109.24 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.04 -38.01 72.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.336 -0.852 . . . . 0.0 109.379 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.07 -41.41 67.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.514 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.59 -42.22 87.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 0.0 110.085 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -70.21 -31.31 68.69 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.993 -1.067 . . . . 0.0 109.702 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.28 -52.35 19.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.994 -1.066 . . . . 0.0 110.013 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' CD ' HH12 ' A' ' 41' ' ' ARG . 2.4 pp20? -67.53 -34.04 76.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.922 -1.111 . . . . 0.0 109.61 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 24.8 t0 -74.5 12.56 0.76 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.405 ' H ' ' C ' ' A' ' 28' ' ' GLU . 73.1 t80 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 108.557 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 N-CA-C 109.561 -0.976 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.64 120.14 78.2 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -52.86 133.94 52.93 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 119.891 0.997 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.477 HH12 ' CD ' ' A' ' 28' ' ' GLU . 23.6 ttm-85 -64.39 -35.49 81.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.389 -0.82 . . . . 0.0 109.855 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.99 -38.95 96.09 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.705 -1.236 . . . . 0.0 110.334 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -74.9 -49.28 20.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.853 -1.381 . . . . 0.0 109.87 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.8 m -64.79 -36.43 84.29 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.223 -0.923 . . . . 0.0 109.854 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -68.29 -42.86 78.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.973 -1.079 . . . . 0.0 108.982 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.85 -15.93 57.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 109.2 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.27 128.19 35.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.32 171.42 15.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.213 -0.929 . . . . 0.0 108.897 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -54.74 -42.83 72.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.043 -1.036 . . . . 0.0 109.808 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.9 t -69.69 -52.48 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.013 -1.055 . . . . 0.0 108.827 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -56.89 -38.26 72.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.02 -46.13 71.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 0.0 109.436 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.57 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.193 -0.942 . . . . 0.0 109.632 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -71.58 -38.97 70.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.181 -0.949 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.46 -35.9 71.03 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.733 -1.229 . . . . 0.0 109.213 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.1 mtp -71.47 -43.24 66.98 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.009 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.6 mt -77.67 -38.78 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 120.79 -1.194 . . . . 0.0 110.143 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.97 -48.59 17.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 111.673 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.39 -41.63 17.94 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.906 -1.121 . . . . 0.0 112.571 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -92.68 -27.45 17.26 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.576 -1.328 . . . . 0.0 110.158 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.53 161.59 29.1 Favored Glycine 0 N--CA 1.502 3.076 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.72 -34.2 71.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -1.023 . . . . 0.0 110.323 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.28 -52.79 20.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.093 -1.004 . . . . 0.0 110.536 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.26 -40.05 64.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.933 -1.104 . . . . 0.0 110.247 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.6 67.36 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.854 -1.153 . . . . 0.0 110.005 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -64.38 -46.7 82.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.03 -1.044 . . . . 0.0 108.636 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.9 -41.63 64.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.138 -0.977 . . . . 0.0 109.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.9 tpp -70.85 -32.55 69.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.136 -0.977 . . . . 0.0 109.249 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.54 -34.44 77.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 0.0 110.27 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.01 -55.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.058 -1.026 . . . . 0.0 110.577 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -55.23 -30.0 59.14 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 110.933 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.1 mt -73.2 -40.7 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 120.543 -1.348 . . . . 0.0 109.965 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 10.3 m-85 -56.76 -46.91 81.13 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.231 -1.543 . . . . 0.0 109.689 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -27.91 63.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.84 63.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 110.348 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.2 pt -85.9 19.32 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.996 -1.065 . . . . 0.0 109.683 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.56 81.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.545 -0.722 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 90.0 mtt180 -156.62 35.99 0.31 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -47.43 -28.84 2.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.553 -0.717 . . . . 0.0 110.549 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -57.0 -32.45 66.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -69.21 -26.23 64.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.394 -0.816 . . . . 0.0 109.642 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.28 -34.11 65.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.803 -1.186 . . . . 0.0 108.696 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.58 -43.5 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -75.83 -35.9 59.83 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.914 -1.116 . . . . 0.0 109.888 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.07 70.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 110.386 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -65.84 -28.31 68.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.93 -1.106 . . . . 0.0 108.983 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -73.86 -27.67 61.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.125 -0.984 . . . . 0.0 109.917 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -97.22 -9.34 27.93 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.19 -0.944 . . . . 0.0 110.05 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.32 109.89 1.89 Allowed Pre-proline 0 N--CA 1.504 2.247 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.531 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.539 0.745 0 N-CA-C 109.174 -1.125 . . . . 0.0 109.174 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -68.73 -38.29 80.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.122 -0.986 . . . . 0.0 108.837 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.76 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -59.34 -32.89 70.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 109.211 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.76 -47.17 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.703 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.6 -33.09 74.84 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.003 -1.06 . . . . 0.0 109.656 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.15 95.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.165 -0.96 . . . . 0.0 110.082 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.66 -32.98 71.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.141 -0.974 . . . . 0.0 109.684 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.37 -46.67 63.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.214 -0.929 . . . . 0.0 109.463 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.38 -26.06 62.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 109.095 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.43 -28.01 34.44 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.187 -0.945 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -61.91 -13.74 27.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.908 -1.12 . . . . 0.0 109.913 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.18 -178.46 3.91 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.64 160.21 15.5 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.17 -47.63 82.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.64 -39.74 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.091 -1.005 . . . . 0.0 109.35 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.82 -29.04 68.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.072 -1.017 . . . . 0.0 108.838 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -31.58 72.88 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -74.64 -43.47 55.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.285 -0.885 . . . . 0.0 110.834 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 28.2 mtmm -67.23 -28.07 67.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.863 -1.148 . . . . 0.0 109.852 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.81 -47.07 61.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.867 -1.146 . . . . 0.0 109.744 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -68.05 -40.62 82.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.973 -1.079 . . . . 0.0 109.537 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.06 -33.93 65.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 109.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -66.92 -47.25 72.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.89 -31.05 62.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.46 -14.54 57.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.0 109.322 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -152.57 55.82 0.8 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.025 -1.047 . . . . 0.0 109.644 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 t80 . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.696 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 109.434 -1.026 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.62 120.19 78.46 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -54.3 133.87 58.1 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-N 119.933 1.012 . . . . 0.0 109.873 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -63.48 -31.86 73.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.366 -0.834 . . . . 0.0 109.498 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 -38.9 93.48 Favored Glycine 0 N--CA 1.504 3.207 0 C-N-CA 119.589 -1.291 . . . . 0.0 109.878 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -75.78 -33.29 60.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.833 -1.392 . . . . 0.0 109.654 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 m -75.17 -48.51 23.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.299 -0.876 . . . . 0.0 110.624 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.0 -41.85 83.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.782 -1.199 . . . . 0.0 109.503 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.51 -17.07 61.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.994 -1.066 . . . . 0.0 109.526 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.5 29.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.989 . . . . 0.0 109.689 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.49 170.35 16.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.324 -0.86 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -50.36 -47.53 56.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.196 -0.94 . . . . 0.0 110.833 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.24 -37.37 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 120.965 -1.084 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -71.63 -38.23 70.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.203 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -55.87 -51.19 68.42 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.793 -1.192 . . . . 0.0 109.211 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.78 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.143 -0.973 . . . . 0.0 109.555 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.0 m -72.13 -33.64 67.95 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.283 -0.886 . . . . 0.0 110.227 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.2 -34.11 68.14 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.0 -1.062 . . . . 0.0 109.237 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mtp -65.87 -43.17 89.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.266 -0.896 . . . . 0.0 110.113 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.8 pt -79.24 -40.21 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 O-C-N 120.868 -1.145 . . . . 0.0 110.59 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.0 -42.46 48.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.026 -1.046 . . . . 0.0 111.339 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -77.63 -42.46 34.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.853 -1.154 . . . . 0.0 111.891 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -97.91 -27.05 14.45 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.885 -1.134 . . . . 0.0 110.114 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.49 156.58 10.24 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.84 -44.12 81.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.272 -1.134 . . . . 0.0 109.549 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 21.3 mp0 -71.59 -47.52 54.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.167 -0.958 . . . . 0.0 110.135 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -59.79 -38.07 80.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.034 . . . . 0.0 109.998 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.93 99.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.025 -1.047 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -60.14 -36.1 76.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.923 -1.111 . . . . 0.0 109.611 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.03 82.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.988 -1.07 . . . . 0.0 110.112 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 79.8 mtp -76.11 -32.18 59.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.055 -1.028 . . . . 0.0 108.993 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.64 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.495 -0.753 . . . . 0.0 110.523 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.2 m -75.66 -39.75 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.035 -1.04 . . . . 0.0 110.514 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -67.72 -30.13 69.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.01 -1.056 . . . . 0.0 110.349 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.1 mt -73.03 -41.41 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.704 -1.248 . . . . 0.0 109.644 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -56.9 -46.98 81.56 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.375 -1.453 . . . . 0.0 109.701 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.96 68.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.921 -1.112 . . . . 0.0 109.675 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -67.86 -46.78 70.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.159 -0.963 . . . . 0.0 110.428 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 pt -79.11 19.76 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.056 -1.027 . . . . 0.0 109.774 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 75' ' ' ALA . 20.8 m120 57.9 65.32 1.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.68 -0.638 . . . . 0.0 110.431 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -138.58 47.28 1.97 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.633 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' NH1' ' CG ' ' A' ' 79' ' ' ARG . 2.1 mmt-85 -46.66 -28.54 1.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.658 -0.651 . . . . 0.0 110.952 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 78' ' ' ARG . 13.5 p-10 -53.37 -35.03 59.85 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.932 -1.105 . . . . 0.0 109.899 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.02 -26.12 62.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.156 -0.965 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -68.01 -34.43 76.49 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.798 -1.189 . . . . 0.0 109.572 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.17 -45.63 55.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.081 -1.012 . . . . 0.0 110.088 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -74.73 -52.06 12.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.052 -1.03 . . . . 0.0 110.177 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.66 -42.17 67.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.01 -27.66 63.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.957 . . . . 0.0 109.734 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -88.14 -27.21 22.04 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.897 -1.127 . . . . 0.0 110.501 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -96.19 -2.62 45.9 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.197 -0.939 . . . . 0.0 110.132 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.56 122.92 48.0 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 120.912 -1.117 . . . . 0.0 109.051 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 CA--C 1.54 0.789 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 -179.571 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -34.2 73.47 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.22 -0.925 . . . . 0.0 108.821 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.434 ' CG ' HH11 ' A' ' 5' ' ' ARG . 8.5 mtt-85 -55.59 -39.68 71.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.604 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.06 -27.26 67.96 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.317 -0.864 . . . . 0.0 109.445 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.598 ' HZ2' HH11 ' A' ' 10' ' ' ARG . 8.9 mmpt? -70.81 -52.09 22.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -54.88 -33.34 61.85 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.07 72.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -0.978 . . . . 0.0 109.364 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.598 HH11 ' HZ2' ' A' ' 7' ' ' LYS . 55.5 mtp180 -74.44 -33.33 62.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 109.993 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -75.51 -54.38 7.1 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.002 -1.061 . . . . 0.0 110.234 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.18 -26.29 64.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 108.919 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -81.78 -28.1 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.125 -0.985 . . . . 0.0 109.358 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.84 -1.61 4.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.003 -1.061 . . . . 0.0 109.839 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.35 156.11 17.17 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.247 -0.908 . . . . 0.0 109.335 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.42 159.28 27.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.334 -0.854 . . . . 0.0 109.55 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -47.39 82.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 109.848 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -59.58 -39.5 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.018 -1.051 . . . . 0.0 109.41 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' NH2' ' A' ' 78' ' ' ARG . 7.1 t70 -66.15 -29.5 69.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.068 -1.02 . . . . 0.0 109.116 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.02 -39.48 94.2 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.224 -0.923 . . . . 0.0 108.726 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -61.16 -40.36 93.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 0.0 109.679 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.1 -30.88 71.32 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.34 -42.57 87.94 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.883 -1.135 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.35 -49.09 45.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.009 -1.057 . . . . 0.0 108.592 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 ttt -55.79 -33.85 64.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.77 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -64.02 -43.88 94.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.215 -0.928 . . . . 0.0 109.354 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -74.19 -31.95 62.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.024 -1.048 . . . . 0.0 109.255 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.43 -35.28 80.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 109.511 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -99.03 27.89 4.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.369 -0.832 . . . . 0.0 109.265 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.7 t80 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 108.628 -179.837 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 CA--C 1.539 0.733 0 N-CA-C 109.418 -1.031 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.86 119.8 78.56 Favored Pre-proline 0 N--CA 1.496 1.83 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.53 150.64 41.95 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 CA-C-N 119.896 0.998 . . . . 0.0 109.703 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -64.46 -43.37 94.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 0.0 109.77 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.57 -25.91 22.32 Favored Glycine 0 N--CA 1.505 3.281 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.312 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -75.1 -39.69 60.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.892 -1.358 . . . . 0.0 109.671 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -69.62 -38.51 77.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.183 -0.948 . . . . 0.0 110.042 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.68 -41.94 99.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 109.685 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -80.68 -13.32 59.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.728 -1.232 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.98 110.01 6.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.261 -0.899 . . . . 0.0 109.81 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.35 170.66 16.09 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.637 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 2.3 p-80 -49.49 -41.32 40.31 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.012 -1.055 . . . . 0.0 110.339 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.32 -51.1 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.123 -0.986 . . . . 0.0 109.2 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -59.5 -35.8 74.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.642 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.18 -52.51 63.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -28.82 69.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.017 -1.052 . . . . 0.0 109.865 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.5 m -74.19 -34.74 63.85 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.176 -0.953 . . . . 0.0 110.355 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.38 -34.55 70.52 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.893 -1.129 . . . . 0.0 109.077 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.9 mmm -69.39 -41.64 76.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.38 -40.76 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.863 -1.148 . . . . 0.0 110.289 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.34 -47.8 19.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.794 -1.191 . . . . 0.0 111.856 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -76.56 -42.35 43.11 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.879 -1.138 . . . . 0.0 112.617 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -97.13 -27.97 14.33 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.655 -1.278 . . . . 0.0 110.625 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.19 165.8 23.89 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -70.82 -41.84 71.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.524 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -70.54 -44.55 67.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.895 -1.128 . . . . 0.0 111.042 -178.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 20.3 tptp -72.94 -37.86 66.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.78 -1.2 . . . . 0.0 109.826 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.71 73.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.061 -1.024 . . . . 0.0 109.863 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -63.51 -43.25 97.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 108.711 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.16 81.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.0 109.754 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.7 mtp -76.07 -32.62 59.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.258 -0.901 . . . . 0.0 109.545 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -68.5 -42.92 77.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 110.139 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -75.67 -48.92 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.198 -0.939 . . . . 0.0 110.19 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -59.17 -29.57 67.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.0 110.646 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.0 mt -72.05 -42.78 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 O-C-N 120.53 -1.356 . . . . 0.0 109.625 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 3.9 m-85 -56.35 -46.69 79.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.336 -1.477 . . . . 0.0 109.891 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.9 -27.95 67.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.908 -1.12 . . . . 0.0 109.655 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.186 -0.946 . . . . 0.0 110.283 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 pt -86.58 20.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.092 -1.005 . . . . 0.0 109.019 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 55.84 82.94 0.1 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.537 0.684 . . . . 0.0 110.574 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH2' ' OD2' ' A' ' 19' ' ' ASP . 53.0 mtt-85 -152.05 30.85 0.56 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.467 ' N ' ' CD ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -47.63 -28.53 2.4 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.519 . . . . 0.0 111.423 -179.309 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.08 -53.53 48.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.881 -1.137 . . . . 0.0 110.404 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -26.38 62.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.067 -1.021 . . . . 0.0 109.636 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -67.44 -36.25 80.82 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.688 -1.257 . . . . 0.0 107.997 179.346 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -60.45 -40.66 91.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 108.924 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.31 -47.25 35.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.337 -0.852 . . . . 0.0 109.329 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 88' ' ' ASP . . . -56.83 -28.61 61.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.965 . . . . 0.0 109.471 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -66.39 -27.15 67.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.016 -1.052 . . . . 0.0 109.398 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -80.5 -27.37 37.75 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 110.646 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -78.41 -3.03 41.24 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.798 -1.189 . . . . 0.0 109.393 -179.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.23 116.48 16.17 Favored Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 109.394 -1.041 . . . . 0.0 109.394 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -69.97 -32.62 70.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -55.82 -37.82 69.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.325 -0.859 . . . . 0.0 109.308 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 t -65.74 -30.81 71.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.363 -0.836 . . . . 0.0 109.135 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -73.77 -51.89 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.426 -0.796 . . . . 0.0 110.025 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.22 -36.14 81.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.75 -1.219 . . . . 0.0 109.424 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.66 83.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.103 -0.998 . . . . 0.0 108.76 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.23 -33.68 67.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.094 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 27.9 m-85 -77.33 -55.75 5.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.209 -0.932 . . . . 0.0 110.482 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.73 -26.2 68.57 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.032 -1.043 . . . . 0.0 109.215 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -81.35 -24.52 37.03 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.488 -0.757 . . . . 0.0 109.959 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.61 -3.75 56.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.938 -1.101 . . . . 0.0 110.594 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.09 165.42 16.63 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.488 -1.383 . . . . 0.0 109.272 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -65.43 149.62 49.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.433 -0.792 . . . . 0.0 109.67 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -57.2 -45.52 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.05 -33.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 108.988 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.33 -29.2 62.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.964 -1.085 . . . . 0.0 108.943 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.27 -43.39 98.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.334 -0.853 . . . . 0.0 109.087 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -67.11 -34.06 76.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.0 109.779 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.95 -27.77 66.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 0.0 109.221 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -71.09 -42.69 69.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.998 -1.064 . . . . 0.0 110.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.32 -46.42 55.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.922 -1.111 . . . . 0.0 109.899 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ttt -56.63 -36.24 69.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.137 -0.977 . . . . 0.0 109.777 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -69.53 -40.5 76.84 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.164 -0.96 . . . . 0.0 109.536 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.29 -33.42 63.24 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.068 -1.02 . . . . 0.0 108.911 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.4 -35.23 80.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 0.0 109.666 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -99.58 36.86 1.69 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.242 -0.912 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.7 t80 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 109.686 -0.928 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 9.3 mp -71.62 119.4 73.82 Favored Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.15 140.71 87.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.939 1.014 . . . . 0.0 109.669 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -64.26 -31.99 73.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.56 96.51 Favored Glycine 0 N--CA 1.504 3.217 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.131 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -75.96 -44.58 39.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.716 -1.461 . . . . 0.0 109.856 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.2 m -65.61 -47.95 73.95 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.28 -0.887 . . . . 0.0 110.983 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.0 -44.37 91.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.709 -1.245 . . . . 0.0 109.631 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -74.33 -18.44 60.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.884 -1.135 . . . . 0.0 109.748 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.05 119.5 10.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.027 -1.045 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.34 179.68 7.56 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -54.02 -45.11 71.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 110.309 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.23 -48.98 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.988 -1.07 . . . . 0.0 109.378 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -37.42 85.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 110.281 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.8 mt -55.92 -51.15 68.64 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.856 -1.153 . . . . 0.0 109.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -28.7 69.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.537 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 m -70.45 -37.44 74.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.305 -0.872 . . . . 0.0 110.37 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.18 -35.22 68.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.009 -1.057 . . . . 0.0 109.371 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.8 tpp -64.44 -42.13 96.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.231 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.45 -37.6 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.963 -1.085 . . . . 0.0 110.63 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -75.67 -51.63 12.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.82 -1.175 . . . . 0.0 111.501 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.25 -42.61 59.41 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.734 -1.229 . . . . 0.0 111.964 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.48 -27.95 15.72 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.514 -1.366 . . . . 0.0 110.548 -178.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.85 155.14 11.42 Favored Glycine 0 N--CA 1.506 3.309 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -69.12 -40.1 78.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -1.171 . . . . 0.0 109.594 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 23.9 mp0 -71.52 -46.77 58.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.176 -0.952 . . . . 0.0 110.178 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.24 -37.66 81.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.031 -1.043 . . . . 0.0 109.317 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.51 68.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.965 -1.085 . . . . 0.0 109.622 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' CD1' ' A' ' 66' ' ' TRP . 36.4 m0 -61.36 -35.11 76.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 0.0 109.237 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.49 81.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.295 -0.878 . . . . 0.0 109.573 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 43.9 mmm -76.12 -32.37 59.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.142 -0.974 . . . . 0.0 108.672 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -67.13 -44.24 80.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.418 -0.801 . . . . 0.0 110.619 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.9 -39.34 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 120.985 -1.072 . . . . 0.0 110.414 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -65.29 -30.1 70.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.048 . . . . 0.0 110.067 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 mm -72.82 -38.34 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 120.725 -1.234 . . . . 0.0 109.217 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 4.5 m-30 -56.93 -47.15 81.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.539 -1.35 . . . . 0.0 109.955 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.96 68.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.93 -1.106 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -66.69 -46.82 74.37 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.193 -0.942 . . . . 0.0 110.471 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.53 19.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.052 -1.03 . . . . 0.0 108.743 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' A' ' 75' ' ' ALA . 1.9 m120 55.44 66.98 1.08 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 78' ' ' ARG . 24.9 mtt-85 -142.83 39.96 1.51 Allowed 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -47.64 -29.09 2.7 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.48 -34.09 70.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.911 -1.118 . . . . 0.0 109.295 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.69 -26.11 66.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 109.711 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.64 -37.76 67.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.763 -1.211 . . . . 0.0 108.954 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.06 -47.49 84.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.097 -1.002 . . . . 0.0 109.546 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -75.14 -49.06 20.75 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.089 -1.007 . . . . 0.0 109.963 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.14 65.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 0.0 110.323 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -54.95 -27.46 43.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.345 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -84.74 -15.46 45.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.797 -1.189 . . . . 0.0 110.786 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 t70 -95.32 -12.72 25.63 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.964 -1.085 . . . . 0.0 110.634 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -59.5 116.13 15.22 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 108.355 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 CA--C 1.539 0.768 0 N-CA-C 109.317 -1.07 . . . . 0.0 109.317 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -70.63 -16.19 62.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.25 -51.08 71.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.381 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.18 -26.07 67.23 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -69.95 -48.85 56.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 110.031 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -60.85 -40.94 94.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.993 -1.067 . . . . 0.0 109.607 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.89 79.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 108.659 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -57.92 -33.53 68.88 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.454 -0.779 . . . . 0.0 109.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.74 -54.61 6.16 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.007 -1.058 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.75 -26.9 68.93 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.884 -1.135 . . . . 0.0 108.964 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -81.69 -24.54 36.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -79.36 -3.48 46.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.037 -1.04 . . . . 0.0 110.511 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 157.12 20.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.572 -1.33 . . . . 0.0 109.34 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 9.2 mp0 -67.62 156.91 35.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.485 -0.76 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.77 -40.07 82.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.07 -40.52 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.066 -1.021 . . . . 0.0 109.679 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -72.96 -29.36 63.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.029 -1.044 . . . . 0.0 109.506 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.01 -36.75 77.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.144 -0.972 . . . . 0.0 109.335 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.31 -39.22 59.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.163 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.0 -28.3 66.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.077 -1.014 . . . . 0.0 109.431 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.38 -47.85 38.76 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -70.2 -45.79 65.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.893 -1.129 . . . . 0.0 109.113 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.3 ttt -52.56 -33.76 47.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.882 . . . . 0.0 109.604 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.431 ' HD1' ' C ' ' A' ' 26' ' ' HIS . 2.6 t-80 -66.9 -42.47 85.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.364 -0.835 . . . . 0.0 109.207 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.91 -32.01 63.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.062 -1.024 . . . . 0.0 109.607 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.39 -14.21 60.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.033 . . . . 0.0 109.966 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.55 48.36 1.64 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.279 -0.888 . . . . 0.0 109.89 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.0 108.431 179.328 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 CA--C 1.538 0.716 0 N-CA-C 109.692 -0.926 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.04 120.19 80.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -53.0 143.86 48.07 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 119.951 1.018 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -64.74 -45.77 85.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.189 -0.944 . . . . 0.0 109.85 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.91 -24.74 65.08 Favored Glycine 0 N--CA 1.504 3.222 0 C-N-CA 119.651 -1.262 . . . . 0.0 109.99 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -72.92 -52.07 16.09 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.037 -1.273 . . . . 0.0 110.095 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.4 m -76.12 -51.23 12.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.058 -1.026 . . . . 0.0 110.847 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.29 -44.08 68.0 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.841 -1.162 . . . . 0.0 110.586 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.13 -9.84 59.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.582 -1.323 . . . . 0.0 109.521 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.18 128.09 33.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.22 171.31 15.24 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -51.81 -49.88 61.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.47 -49.06 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 120.9 -1.125 . . . . 0.0 108.969 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.14 -34.51 73.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.245 -0.909 . . . . 0.0 109.843 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.14 -51.18 65.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.897 -1.127 . . . . 0.0 109.037 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.75 68.97 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.164 -0.96 . . . . 0.0 110.103 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 m -76.9 -35.62 57.26 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.945 -1.097 . . . . 0.0 110.704 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.13 -34.06 68.27 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.814 -1.179 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.4 mtp -68.96 -42.17 77.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.402 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.7 -39.51 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.99 -39.98 48.42 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.892 -1.13 . . . . 0.0 111.486 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -81.95 -42.4 19.49 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.83 -1.169 . . . . 0.0 112.326 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.96 -27.14 15.81 Favored 'General case' 0 N--CA 1.51 2.542 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.82 169.19 28.57 Favored Glycine 0 N--CA 1.502 3.093 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -71.07 -35.6 71.94 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.404 -1.057 . . . . 0.0 110.867 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.72 -52.76 16.14 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.027 -1.046 . . . . 0.0 110.926 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -73.23 -38.79 65.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.864 -1.147 . . . . 0.0 110.916 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.46 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.866 -1.146 . . . . 0.0 110.971 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.48 -35.08 76.66 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.941 -1.1 . . . . 0.0 108.786 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.26 81.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.081 -1.012 . . . . 0.0 108.966 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.6 mmm -76.03 -42.57 47.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.371 -0.831 . . . . 0.0 109.113 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -56.63 -45.69 81.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.023 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.41 -45.28 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.154 -0.966 . . . . 0.0 110.238 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -60.98 -31.05 70.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.03 -1.044 . . . . 0.0 110.486 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.2 mt -72.87 -37.28 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.369 0 O-C-N 120.585 -1.322 . . . . 0.0 109.463 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-30 -56.85 -46.92 81.42 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.488 -1.382 . . . . 0.0 109.668 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.46 -27.98 67.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.97 -1.081 . . . . 0.0 109.868 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -65.33 -47.1 77.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.145 -0.972 . . . . 0.0 109.967 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.5 19.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.015 -1.053 . . . . 0.0 108.193 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 75' ' ' ALA . 13.3 t30 56.67 11.37 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.541 -0.724 . . . . 0.0 109.899 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.95 51.83 0.52 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.113 -0.992 . . . . 0.0 108.985 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -62.47 -29.22 70.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.23 -48.66 80.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.928 -1.107 . . . . 0.0 110.159 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.95 -25.91 61.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 110.05 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -74.41 -37.92 63.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.25 -43.88 92.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -74.89 -47.16 31.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.288 -0.883 . . . . 0.0 109.52 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.79 68.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.621 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.6 -27.3 67.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -82.41 -31.86 29.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.789 -1.194 . . . . 0.0 110.452 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -98.99 -10.05 23.18 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.14 -0.975 . . . . 0.0 110.462 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -76.66 124.46 87.76 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.747 -1.221 . . . . 0.0 108.282 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.54 0.784 0 N-CA-C 109.19 -1.119 . . . . 0.0 109.19 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.0 m -64.47 -20.62 66.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.887 . . . . 0.0 109.162 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -68.57 -50.83 48.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.603 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -72.81 -33.89 66.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.23 -0.919 . . . . 0.0 109.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.88 -45.05 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.258 -0.901 . . . . 0.0 110.286 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -72.86 -37.16 67.46 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.947 -1.095 . . . . 0.0 109.338 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.18 89.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.988 -1.07 . . . . 0.0 108.946 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -63.14 -32.6 74.03 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.467 -0.771 . . . . 0.0 109.2 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -54.61 40.09 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 109.229 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.4 -25.21 59.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.101 -0.999 . . . . 0.0 108.99 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 15.5 mm-40 -80.75 -21.49 41.04 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.234 -0.916 . . . . 0.0 108.933 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -69.98 0.27 6.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.0 109.764 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 mt -89.6 167.32 13.04 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.04 -1.038 . . . . 0.0 109.371 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.46 152.63 40.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.305 -0.872 . . . . 0.0 109.943 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.0 -43.72 73.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.5 -32.12 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 108.803 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.42 -29.54 62.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.028 -1.045 . . . . 0.0 109.817 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.04 -38.06 89.66 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.944 -1.098 . . . . 0.0 108.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.64 -41.1 55.02 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.179 -0.951 . . . . 0.0 110.833 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 97.0 mttt -75.29 -31.02 60.57 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.886 -1.134 . . . . 0.0 110.533 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -69.88 -47.58 62.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.753 -1.217 . . . . 0.0 109.706 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -63.73 -48.12 78.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.016 -1.052 . . . . 0.0 109.949 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.398 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -62.03 -33.08 73.7 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.942 -1.099 . . . . 0.0 109.938 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.46 -32.32 71.29 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.929 -1.107 . . . . 0.0 109.973 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 28' ' ' GLU . 4.1 mp0 -82.91 -17.24 44.38 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.916 -1.115 . . . . 0.0 109.59 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.97 -16.75 63.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.656 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 120.801 -1.187 . . . . 0.0 109.628 -179.537 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 C--O 1.215 -0.664 0 N-CA-C 109.582 -0.968 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.4 mm? -74.08 119.11 74.64 Favored Pre-proline 0 N--CA 1.49 1.541 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.92 139.78 79.03 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 CA-C-N 119.945 1.016 . . . . 0.0 109.679 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -61.56 -50.47 72.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.213 -0.929 . . . . 0.0 109.698 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.42 -26.34 44.27 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -75.05 -40.0 60.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.29 . . . . 0.0 109.659 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -68.45 -44.29 75.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 0.0 109.907 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.28 -40.35 81.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.079 -1.013 . . . . 0.0 109.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -74.02 -17.66 60.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.825 -1.172 . . . . 0.0 109.314 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.89 132.82 38.11 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.189 -0.945 . . . . 0.0 109.525 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.35 173.69 12.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' OE2' ' A' ' 13' ' ' GLU . 32.7 m170 -58.29 -49.44 77.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.84 -46.12 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.054 -1.029 . . . . 0.0 108.497 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.47 -36.81 76.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.299 -0.876 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -51.43 63.33 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.086 . . . . 0.0 109.022 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.49 65.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 0.0 109.863 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.5 m -72.46 -40.09 67.26 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.011 -1.056 . . . . 0.0 110.99 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.81 -36.54 73.02 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.67 -1.269 . . . . 0.0 109.147 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 68.0 mmm -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.347 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -78.26 -35.6 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.936 -1.103 . . . . 0.0 110.348 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -76.78 -52.02 10.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.709 -1.244 . . . . 0.0 111.846 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.95 -42.26 63.59 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.69 -1.256 . . . . 0.0 112.222 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.85 -28.05 14.9 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.549 -1.344 . . . . 0.0 111.203 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 165.97 29.05 Favored Glycine 0 N--CA 1.505 3.265 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.97 -33.23 70.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -1.191 . . . . 0.0 110.601 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -72.1 -53.27 13.28 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.003 -1.061 . . . . 0.0 110.505 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HZ2' ' CG ' ' A' ' 68' ' ' MET . 26.3 tptp -71.45 -39.1 71.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.954 -1.091 . . . . 0.0 110.147 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.35 68.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.883 -1.135 . . . . 0.0 109.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -58.98 -45.91 89.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.34 75.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 109.837 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.412 ' CG ' ' HZ2' ' A' ' 64' ' ' LYS . 44.2 mmm -75.44 -32.63 60.74 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.162 -0.961 . . . . 0.0 109.106 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.48 -45.99 64.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.225 -0.922 . . . . 0.0 110.43 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 71' ' ' TRP . 17.3 m -75.85 -47.02 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 120.999 -1.063 . . . . 0.0 110.673 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.411 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 74.8 t90 -63.56 -29.4 70.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.034 -1.041 . . . . 0.0 110.239 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.25 -40.12 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.691 -1.256 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-85 -56.66 -46.56 80.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.451 -1.406 . . . . 0.0 109.763 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -27.71 58.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.849 -1.157 . . . . 0.0 109.495 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -70.82 -42.38 70.32 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 110.39 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' C ' ' H ' ' A' ' 78' ' ' ARG . 1.1 mt -73.26 19.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.977 -1.077 . . . . 0.0 109.353 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 75' ' ' ALA . 70.0 m-20 59.07 1.63 0.22 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 76' ' ' ILE . 38.4 mtt-85 -81.65 57.92 3.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.034 -1.041 . . . . 0.0 108.522 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -56.7 -29.44 62.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.413 -0.805 . . . . 0.0 110.3 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.3 -41.72 69.26 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.981 -1.075 . . . . 0.0 109.914 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -26.13 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.317 -0.864 . . . . 0.0 109.291 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -67.76 -33.54 75.05 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.678 -1.263 . . . . 0.0 109.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.04 -43.2 68.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.41 62.64 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.093 -1.004 . . . . 0.0 108.899 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.09 63.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.24 -0.912 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.37 -27.46 64.34 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.223 -0.923 . . . . 0.0 110.023 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -84.41 -28.19 27.07 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.861 -1.15 . . . . 0.0 110.484 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.2 -12.31 50.11 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.952 -1.093 . . . . 0.0 110.145 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -55.12 109.46 1.61 Allowed Pre-proline 0 N--CA 1.505 2.28 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.248 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 CA--C 1.538 0.689 0 N-CA-C 109.651 -0.942 . . . . 0.0 109.651 -179.661 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -63.44 -31.37 72.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.905 . . . . 0.0 109.388 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.469 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 70.4 ttt180 -52.62 -37.35 58.22 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.867 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -71.87 -29.41 64.33 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.358 -0.839 . . . . 0.0 109.709 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.23 -52.93 14.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.027 -1.046 . . . . 0.0 109.355 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.2 mt -53.72 -33.1 54.53 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.899 -1.125 . . . . 0.0 109.653 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.34 72.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.646 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.97 -34.33 62.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 110.476 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -77.36 -50.77 12.06 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.825 -1.172 . . . . 0.0 109.633 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.83 -26.45 65.81 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.135 -0.978 . . . . 0.0 108.661 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.19 -27.7 35.24 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.225 -0.922 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.25 -1.45 4.53 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.168 -0.957 . . . . 0.0 109.605 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.12 155.45 25.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.206 -0.934 . . . . 0.0 108.758 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.48 161.37 27.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.96 -39.77 75.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.15 -39.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.835 -1.166 . . . . 0.0 110.005 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 7.9 p30 -71.96 -28.14 63.24 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.631 -1.293 . . . . 0.0 108.731 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.507 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 34.3 tp -56.08 -50.98 69.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.297 -0.877 . . . . 0.0 109.114 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -60.62 -40.04 90.41 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.537 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.556 ' NZ ' ' NE2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -67.31 -27.12 66.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.246 -0.909 . . . . 0.0 109.872 -179.425 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.63 -43.11 85.59 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.958 -1.089 . . . . 0.0 110.287 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -65.64 -46.2 80.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.958 -1.089 . . . . 0.0 109.149 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -57.29 -34.3 68.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.898 . . . . 0.0 109.86 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.556 ' NE2' ' NZ ' ' A' ' 22' ' ' LYS . 46.7 m-70 -69.54 -43.01 73.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.72 -36.61 78.65 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.842 -1.161 . . . . 0.0 108.907 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -73.76 -27.44 61.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.095 -1.003 . . . . 0.0 109.341 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.52 8.98 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.338 -0.851 . . . . 0.0 109.996 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 t80 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.031 -1.043 . . . . 0.0 108.308 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 CA--C 1.538 0.699 0 N-CA-C 109.635 -0.948 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 10.0 mp -71.76 119.31 73.46 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 138.33 81.91 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.903 1.001 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.27 -33.75 76.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 109.774 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 -41.58 97.5 Favored Glycine 0 N--CA 1.504 3.219 0 C-N-CA 119.6 -1.286 . . . . 0.0 109.971 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -75.7 -33.94 60.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.795 -1.415 . . . . 0.0 109.67 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.0 m -70.2 -43.04 71.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.257 -0.902 . . . . 0.0 110.424 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -42.53 66.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.823 -1.173 . . . . 0.0 109.698 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -70.68 -17.01 62.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.884 -1.135 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.06 130.64 43.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 109.431 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.19 170.5 16.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.331 -0.856 . . . . 0.0 108.763 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -55.06 -37.47 66.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.35 -52.4 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.122 -0.986 . . . . 0.0 108.806 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -35.18 72.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 0.0 109.687 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.03 -51.3 70.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.018 -1.051 . . . . 0.0 109.606 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.176 -0.953 . . . . 0.0 109.783 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.469 ' OG1' ' NH2' ' A' ' 5' ' ' ARG . 88.2 m -70.48 -32.3 69.76 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.092 -1.005 . . . . 0.0 109.447 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.29 -34.23 70.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.035 -1.041 . . . . 0.0 108.555 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mmm -71.06 -43.71 67.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 109.612 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.87 -32.87 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 120.793 -1.192 . . . . 0.0 110.295 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.69 -52.16 10.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.706 -1.246 . . . . 0.0 112.094 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -81.72 -42.24 20.14 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.632 -1.293 . . . . 0.0 112.563 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -93.21 -27.68 16.73 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.388 -1.445 . . . . 0.0 110.748 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.74 169.67 32.59 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 8.3 tp10 -71.05 -34.77 71.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.171 -1.194 . . . . 0.0 110.423 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.37 -53.01 21.61 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.076 -1.015 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -73.44 -36.62 65.94 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.86 -1.15 . . . . 0.0 110.193 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.47 36.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.789 -1.195 . . . . 0.0 109.825 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.458 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 40.7 m0 -60.15 -38.09 82.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.29 83.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -0.935 . . . . 0.0 109.355 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 13.5 tpp -74.97 -32.22 61.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.267 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.18 69.59 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.836 . . . . 0.0 110.804 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 m -75.68 -43.38 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 120.953 -1.092 . . . . 0.0 110.75 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -63.38 -30.19 71.37 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.938 -1.101 . . . . 0.0 110.229 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.7 mt -73.1 -41.01 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.693 -1.254 . . . . 0.0 109.758 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -56.04 -46.81 78.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.492 -1.38 . . . . 0.0 109.828 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.71 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.877 -1.139 . . . . 0.0 109.741 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.08 -47.14 53.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.093 -1.004 . . . . 0.0 110.613 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 pt -84.9 20.37 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.976 -1.077 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 56.94 87.71 0.06 Allowed 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.684 0.754 . . . . 0.0 109.601 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -168.26 32.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -47.41 -27.85 1.86 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.892 -0.505 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.3 -24.82 8.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.759 -1.213 . . . . 0.0 109.905 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.08 -26.3 48.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.299 -0.876 . . . . 0.0 108.793 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -69.84 -34.04 73.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.707 -1.246 . . . . 0.0 108.684 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.92 -41.43 67.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.481 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.56 -52.79 10.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 109.798 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.4 -38.94 66.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -70.35 -27.54 64.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.214 -0.929 . . . . 0.0 109.544 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -78.77 -29.3 44.99 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.959 -1.088 . . . . 0.0 109.559 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.83 -2.86 52.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.236 -0.915 . . . . 0.0 109.585 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.99 114.33 7.35 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.112 -0.993 . . . . 0.0 108.827 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 CA-C-N 119.769 0.953 . . . . 0.0 109.626 -179.679 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.42 97.46 0.69 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.265 -0.897 . . . . 0.0 109.419 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m -70.81 131.94 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.216 -0.927 . . . . 0.0 109.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -74.0 -23.57 59.46 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.23 -0.919 . . . . 0.0 109.189 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.66 -40.82 72.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.92 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.4 m -69.94 -27.81 65.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.809 . . . . 0.0 109.42 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -70.95 -52.03 22.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.92 . . . . 0.0 110.056 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.91 -33.31 70.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.93 -1.106 . . . . 0.0 109.549 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.05 84.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.97 . . . . 0.0 109.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.79 -33.25 75.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 109.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -72.73 -53.08 12.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.038 -1.039 . . . . 0.0 109.864 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.28 -27.3 67.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.88 -1.137 . . . . 0.0 108.739 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -81.93 -35.16 29.41 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.188 -0.945 . . . . 0.0 109.48 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.88 -2.43 15.03 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.015 -1.053 . . . . 0.0 110.42 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.38 161.62 20.3 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.743 -1.223 . . . . 0.0 108.352 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.26 155.45 35.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.282 -0.887 . . . . 0.0 109.915 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.79 -47.36 83.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 109.864 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.41 -32.27 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 108.892 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -72.56 -29.08 63.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.012 -1.055 . . . . 0.0 108.547 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.42 -46.0 91.96 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.16 -32.71 74.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.431 -0.793 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.74 -28.02 62.38 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.999 -1.063 . . . . 0.0 109.557 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.89 -41.38 78.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.98 -1.075 . . . . 0.0 109.785 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.3 -47.4 50.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.108 -0.995 . . . . 0.0 109.932 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.3 ttt -58.61 -39.34 80.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.707 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.168 -0.958 . . . . 0.0 109.525 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.12 -48.45 43.63 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.229 -0.919 . . . . 0.0 109.465 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.86 -31.75 72.88 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.219 -0.926 . . . . 0.0 109.584 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.78 22.47 3.09 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 0.0 109.737 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 77.0 t80 -63.84 118.96 50.42 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.13 -0.981 . . . . 0.0 108.878 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 9.3 Cg_endo -68.76 164.67 32.43 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 N-CA-C 109.227 -1.105 . . . . 0.0 109.227 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -65.17 142.87 75.65 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 121.006 1.138 . . . . 0.0 109.302 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -111.43 -44.89 3.46 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -170.58 74.62 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.52 13.23 58.22 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.87 150.53 23.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 0.0 109.559 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 tt -83.79 129.76 58.06 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.316 -0.865 . . . . 0.0 108.745 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -67.01 137.89 46.0 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 N-CA-C 109.135 -1.14 . . . . 0.0 109.135 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.25 119.4 75.55 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.92 133.57 58.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 CA-C-N 119.93 1.011 . . . . 0.0 109.611 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -64.85 -46.15 83.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.71 -31.85 46.29 Favored Glycine 0 N--CA 1.505 3.269 0 C-N-CA 119.82 -1.181 . . . . 0.0 110.206 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' N ' ' OE1' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -75.17 -51.72 12.69 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.866 -1.373 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.6 m -63.8 -54.32 36.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.15 -0.969 . . . . 0.0 110.082 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.35 -39.88 76.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.049 -1.032 . . . . 0.0 109.636 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -76.71 -18.07 58.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.795 -1.191 . . . . 0.0 109.494 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.53 131.52 39.02 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.06 -1.025 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.458 ' OD2' ' CD2' ' A' ' 49' ' ' HIS . 38.9 t70 -80.03 179.67 7.49 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.336 -0.853 . . . . 0.0 109.1 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.59 ' CD2' ' H ' ' A' ' 49' ' ' HIS . 2.3 p80 -59.82 -46.62 88.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.082 -1.011 . . . . 0.0 109.193 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.62 -51.26 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.962 -1.086 . . . . 0.0 108.804 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.57 -37.08 72.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -54.1 -44.46 71.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.988 -1.07 . . . . 0.0 109.294 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.62 70.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.177 -0.952 . . . . 0.0 109.561 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -69.54 -37.29 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 110.38 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.24 -35.21 71.36 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.779 -1.201 . . . . 0.0 108.865 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.6 mtp -71.39 -42.76 67.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.202 -0.936 . . . . 0.0 109.737 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.1 mt -77.72 -37.16 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 120.78 -1.2 . . . . 0.0 110.01 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.14 -47.74 19.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.881 -1.137 . . . . 0.0 111.834 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -84.15 -42.61 15.83 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.77 -1.206 . . . . 0.0 112.844 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -94.87 -27.23 15.83 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.563 -1.336 . . . . 0.0 110.603 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.69 164.75 29.26 Favored Glycine 0 N--CA 1.505 3.24 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' OE1' ' NE1' ' A' ' 66' ' ' TRP . 7.4 tp10 -71.13 -33.76 70.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -1.101 . . . . 0.0 110.07 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.21 -52.88 16.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.123 -0.985 . . . . 0.0 110.301 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -71.66 -39.2 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.996 -1.065 . . . . 0.0 110.485 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.24 75.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.797 -1.19 . . . . 0.0 109.856 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.457 ' NE1' ' OE1' ' A' ' 62' ' ' GLU . 30.3 m0 -61.4 -40.3 93.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.149 -0.969 . . . . 0.0 109.084 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.05 75.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.633 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mmm -76.28 -32.5 58.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.214 -0.929 . . . . 0.0 109.171 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.95 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.298 -0.876 . . . . 0.0 110.345 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.69 -40.24 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.06 -1.025 . . . . 0.0 110.494 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -65.71 -30.06 70.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.047 -1.033 . . . . 0.0 110.218 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.95 -40.41 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 120.618 -1.301 . . . . 0.0 109.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -56.86 -47.03 81.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.397 -1.44 . . . . 0.0 109.709 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.34 -27.99 66.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.957 -1.089 . . . . 0.0 109.679 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.66 -46.79 68.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 110.281 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.4 pt -83.84 20.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.052 -1.03 . . . . 0.0 109.623 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.613 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER 54.95 74.48 0.36 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.462 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.61 38.13 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -47.06 -36.4 8.06 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.734 -0.604 . . . . 0.0 110.999 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -58.69 -33.37 70.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.824 -1.172 . . . . 0.0 109.269 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.9 -26.03 64.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.828 . . . . 0.0 109.846 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.426 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.2 t80 -72.88 -35.49 67.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 108.847 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -64.27 -44.97 90.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.091 -1.006 . . . . 0.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -75.0 -43.29 54.73 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.121 -0.987 . . . . 0.0 109.923 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.85 72.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.153 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.4 -27.35 67.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.039 -1.038 . . . . 0.0 110.076 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -86.31 -28.21 23.85 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.794 -1.191 . . . . 0.0 110.61 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.93 -10.43 33.8 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.962 -1.086 . . . . 0.0 110.333 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.456 ' OE2' ' CE3' ' A' ' 66' ' ' TRP . 3.0 mm-40 -72.47 118.07 64.44 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.83 -1.169 . . . . 0.0 108.207 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -60.15 157.01 36.68 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 N-CA-C 109.487 -1.005 . . . . 0.0 109.487 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.001 -1.0 . . . . 0.0 108.946 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.24 0.543 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.55 97.48 0.68 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.268 -0.895 . . . . 0.0 109.411 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 m -70.07 131.86 44.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.2 -0.938 . . . . 0.0 109.171 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -83.09 -28.02 29.81 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 109.45 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.266 -0.896 . . . . 0.0 109.668 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 7' ' ' LYS . 30.1 p -63.21 -38.36 90.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.397 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 57.6 mttp -60.62 -50.14 74.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 109.826 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.17 -33.13 51.21 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.95 -1.094 . . . . 0.0 109.829 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.62 84.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 109.592 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -59.1 -34.04 71.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.152 -0.968 . . . . 0.0 109.931 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' HH ' ' CG ' ' A' ' 88' ' ' ASP . 47.6 m-85 -71.87 -51.74 20.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.782 -1.199 . . . . 0.0 110.049 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.0 -26.49 65.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.008 -1.058 . . . . 0.0 109.188 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.69 -31.36 32.21 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.236 -0.915 . . . . 0.0 109.958 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.06 -2.68 4.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.014 -1.053 . . . . 0.0 109.821 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -93.3 160.96 14.59 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.988 -1.07 . . . . 0.0 109.103 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 11.4 mp0 -65.54 156.12 33.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.874 . . . . 0.0 109.436 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -57.74 -47.62 81.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.877 . . . . 0.0 109.712 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.07 -38.18 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.28 -29.4 69.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.064 -1.023 . . . . 0.0 108.515 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.07 -33.32 75.53 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' HZ2' ' CE ' ' A' ' 25' ' ' MET . 55.7 tttm -70.96 -35.37 72.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.12 -28.38 61.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -70.11 -42.14 73.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.911 -1.118 . . . . 0.0 109.696 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -68.29 -41.82 80.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.041 -1.037 . . . . 0.0 109.771 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.496 ' CE ' ' HZ2' ' A' ' 21' ' ' LYS . 15.1 mtt -64.6 -33.79 76.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.195 -0.94 . . . . 0.0 108.591 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.34 -38.59 84.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.218 -0.926 . . . . 0.0 109.317 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.93 -37.62 84.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 0.0 109.365 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -71.66 -30.8 66.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 109.824 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.25 32.21 0.28 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.14 -0.975 . . . . 0.0 109.887 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 141.56 70.55 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -61.25 166.06 11.68 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 109.216 -1.109 . . . . 0.0 109.216 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.95 133.02 45.06 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.001 1.134 . . . . 0.0 109.239 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -106.81 -35.36 6.98 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.567 -0.708 . . . . 0.0 109.431 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttm 55.24 55.44 7.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.324 -0.86 . . . . 0.0 109.247 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.68 -68.63 0.18 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.066 -1.613 . . . . 0.0 109.066 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -60.0 150.97 27.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.315 -1.109 . . . . 0.0 109.042 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -83.17 122.89 77.72 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.163 -0.961 . . . . 0.0 108.866 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -66.59 147.14 81.44 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.2 mm? -71.72 119.26 73.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.07 133.58 58.76 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 CA-C-N 119.977 1.027 . . . . 0.0 109.627 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.66 -42.84 95.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.333 -0.855 . . . . 0.0 109.519 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.08 -35.88 91.46 Favored Glycine 0 N--CA 1.503 3.123 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -75.62 -39.03 58.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.924 -1.339 . . . . 0.0 109.981 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -70.69 -46.37 63.28 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.478 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 2.1 pp20? -65.91 -40.36 91.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.866 -1.146 . . . . 0.0 109.508 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.7 tttp -72.04 -16.62 62.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.897 -1.127 . . . . 0.0 109.542 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.47 137.16 55.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 0.0 109.62 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 36.8 t70 -80.59 179.32 7.81 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.348 -0.845 . . . . 0.0 109.791 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.498 ' HD1' ' N ' ' A' ' 49' ' ' HIS . 1.1 m80 -63.47 -49.11 74.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.915 . . . . 0.0 109.964 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.2 -35.13 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.979 -1.075 . . . . 0.0 108.753 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.58 -39.45 73.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.226 -0.922 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.48 -47.52 76.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.827 -1.171 . . . . 0.0 109.237 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.81 69.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.035 -1.041 . . . . 0.0 109.5 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.2 m -72.15 -32.59 67.04 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 109.916 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.39 70.36 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.917 -1.114 . . . . 0.0 108.684 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.4 mtp -67.92 -40.39 83.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 109.357 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.72 -34.87 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.831 -1.168 . . . . 0.0 109.925 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.24 -52.11 9.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.78 -1.2 . . . . 0.0 111.927 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -81.79 -42.4 19.77 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.737 -1.227 . . . . 0.0 112.768 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -93.23 -27.89 16.59 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.365 -1.459 . . . . 0.0 110.566 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.27 167.35 32.78 Favored Glycine 0 N--CA 1.503 3.152 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.86 -31.09 67.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.382 -1.07 . . . . 0.0 110.366 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -71.14 -52.83 17.04 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.113 -0.992 . . . . 0.0 110.506 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -73.5 -38.32 65.41 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.831 -1.168 . . . . 0.0 110.173 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.19 -51.72 61.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.202 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -61.51 -44.08 97.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.071 -1.018 . . . . 0.0 108.929 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.95 74.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.675 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtp -76.2 -32.57 59.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.26 76.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.87 -41.78 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.064 -1.023 . . . . 0.0 110.407 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -65.75 -29.65 70.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.0 110.378 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.8 mt -72.46 -42.21 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 120.681 -1.262 . . . . 0.0 109.664 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.35 -46.83 79.81 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.388 -1.445 . . . . 0.0 109.54 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.82 67.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.871 -1.143 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.11 57.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.191 -0.943 . . . . 0.0 110.6 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.64 19.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.876 -1.14 . . . . 0.0 109.584 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.99 71.46 0.51 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.665 -0.647 . . . . 0.0 110.496 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 78' ' ' ARG . 16.7 mtt-85 -153.56 38.23 0.48 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.15 -28.99 43.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 110.153 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -56.41 -30.16 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.859 -1.15 . . . . 0.0 109.356 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -26.05 63.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.873 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.05 -37.68 66.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.684 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -44.67 95.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.12 -0.988 . . . . 0.0 109.188 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -74.92 -45.54 41.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 109.71 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.78 -30.24 43.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.235 -0.916 . . . . 0.0 109.529 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -70.39 -27.3 64.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 109.141 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.424 ' NH1' ' CG ' ' A' ' 87' ' ' ARG . 3.9 ttt-85 -75.89 -27.73 57.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.913 -1.117 . . . . 0.0 109.635 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.422 ' CG ' ' HH ' ' A' ' 11' ' ' TYR . 20.8 t70 -91.64 -2.74 56.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.58 114.04 6.65 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.903 . . . . 0.0 109.145 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.6 154.16 61.79 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.275 -179.807 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.48 137.5 4.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.268 -0.895 . . . . 0.0 109.39 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m -69.95 131.96 45.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -42.73 57.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.203 -0.935 . . . . 0.0 108.555 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -54.75 -34.68 62.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.601 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.07 -24.66 51.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.484 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.95 -48.96 26.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.346 -0.846 . . . . 0.0 110.306 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.05 -33.39 70.23 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.937 -1.102 . . . . 0.0 109.463 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.84 79.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.98 -1.075 . . . . 0.0 109.3 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -68.72 -33.41 73.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.307 -0.871 . . . . 0.0 109.109 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.45 -55.3 16.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.546 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.68 -25.24 64.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.994 -1.066 . . . . 0.0 109.21 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -81.99 -32.32 30.69 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.232 -0.917 . . . . 0.0 110.804 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 37.7 p30 -66.95 -19.31 65.7 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.812 -1.18 . . . . 0.0 110.793 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 73.9 mt -73.9 164.35 26.75 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.929 -1.107 . . . . 0.0 109.42 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 3.3 mp0 -65.47 154.67 37.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.094 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -54.92 -45.58 74.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.37 -0.831 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.66 -32.58 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 15.5 t70 -69.69 -31.69 69.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.87 -30.64 71.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.844 -1.16 . . . . 0.0 107.878 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -73.65 -48.86 29.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.504 -0.748 . . . . 0.0 110.758 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -75.65 -33.84 60.46 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.791 -1.193 . . . . 0.0 110.692 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -68.84 -41.36 78.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.73 -1.231 . . . . 0.0 109.795 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -72.21 -41.4 66.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.059 -1.025 . . . . 0.0 109.517 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 29' ' ' ASP . 1.3 tmt? -67.69 -34.11 76.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 109.606 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.64 74.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.125 -0.985 . . . . 0.0 109.561 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.15 -44.55 75.77 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.094 -1.003 . . . . 0.0 108.652 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -65.78 -32.86 74.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' SD ' ' A' ' 25' ' ' MET . 2.4 m-20 -91.71 19.92 6.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.155 -0.965 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 71.9 t80 -72.36 119.18 73.42 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 120.983 -1.073 . . . . 0.0 108.705 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 9.4 Cg_endo -68.46 164.13 33.97 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -66.92 139.55 51.93 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 121.144 1.229 . . . . 0.0 109.471 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -111.06 -44.74 3.54 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -148.89 57.48 1.03 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.83 17.43 65.13 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -57.92 150.72 19.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.332 -1.099 . . . . 0.0 109.722 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -85.08 113.99 53.35 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.02 144.79 99.59 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 CA-C-N 120.066 1.059 . . . . 0.0 109.775 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.73 120.26 78.99 Favored Pre-proline 0 N--CA 1.492 1.66 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.67 133.88 51.58 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 CA-C-N 119.907 1.003 . . . . 0.0 110.066 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.58 -49.21 72.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.423 -0.798 . . . . 0.0 110.052 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.54 -37.56 56.44 Favored Glycine 0 N--CA 1.506 3.306 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.349 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -75.19 -36.14 61.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.809 -1.407 . . . . 0.0 109.885 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -69.68 -47.05 64.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.057 -1.027 . . . . 0.0 110.052 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.22 -40.03 88.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.972 -1.08 . . . . 0.0 109.416 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -75.05 -14.75 60.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.868 -1.145 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.12 132.82 43.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.27 168.88 18.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.303 -0.873 . . . . 0.0 108.907 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -53.96 -49.32 69.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.53 -46.1 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.023 -1.048 . . . . 0.0 108.743 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.2 -36.08 78.92 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.208 -0.933 . . . . 0.0 109.7 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.18 -49.02 70.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.834 -1.166 . . . . 0.0 108.881 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.71 68.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.66 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.9 m -70.19 -35.25 73.82 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.027 -1.046 . . . . 0.0 110.314 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.81 -34.9 72.22 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.745 -1.222 . . . . 0.0 108.375 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.6 mtp -69.21 -43.22 74.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.252 -0.905 . . . . 0.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.11 -39.1 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 120.862 -1.149 . . . . 0.0 110.241 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.17 -42.69 36.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.74 -1.225 . . . . 0.0 111.615 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -80.98 -42.24 21.53 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.897 -1.127 . . . . 0.0 112.397 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 20.6 m120 -99.23 -27.08 13.96 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.748 -1.22 . . . . 0.0 110.864 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.52 164.77 29.46 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.68 -31.03 67.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.253 -1.145 . . . . 0.0 110.033 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 10.5 mp0 -69.88 -52.53 24.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.482 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' NZ ' ' O ' ' A' ' 60' ' ' ASN . 32.0 mtmm -73.39 -41.19 63.65 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.967 -1.083 . . . . 0.0 110.035 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.06 68.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.775 -1.203 . . . . 0.0 109.688 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.469 ' CZ3' ' OE2' ' A' ' 89' ' ' GLU . 45.3 m0 -58.92 -43.01 91.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.15 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.59 82.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.126 -0.984 . . . . 0.0 109.773 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.3 mtp -76.02 -32.6 59.46 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.277 -0.89 . . . . 0.0 109.328 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -62.85 -37.84 88.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.86 -54.17 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.192 -0.943 . . . . 0.0 110.264 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -55.0 -29.97 58.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.814 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.3 mt -72.75 -41.01 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 120.573 -1.33 . . . . 0.0 109.815 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -57.04 -46.99 81.99 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.279 -1.513 . . . . 0.0 109.824 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -27.89 68.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.883 -1.136 . . . . 0.0 109.64 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -47.05 75.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 110.242 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 18.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.991 -1.068 . . . . 0.0 108.856 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 56.21 70.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 109.822 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 94.9 mtt180 -149.41 39.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.5 -28.79 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.59 -0.694 . . . . 0.0 110.405 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.74 -27.07 26.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.976 -1.077 . . . . 0.0 109.608 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.4 -26.6 61.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.38 -0.825 . . . . 0.0 109.021 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -72.55 -34.18 67.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.762 -1.211 . . . . 0.0 108.597 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -65.47 -44.37 87.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.182 -0.949 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -74.98 -42.59 57.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.0 109.625 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.79 53.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.375 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -69.74 -27.48 64.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.478 -0.764 . . . . 0.0 109.004 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -80.61 -29.64 36.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.99 -1.069 . . . . 0.0 109.913 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -98.0 -5.25 34.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' OE2' ' CZ3' ' A' ' 66' ' ' TRP . 20.2 tp10 -56.14 113.64 6.18 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.98 147.45 94.54 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 109.439 -1.024 . . . . 0.0 109.439 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.827 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.236 0.541 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.41 97.4 0.69 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.219 -0.926 . . . . 0.0 109.487 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -77.29 140.65 40.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.232 -0.918 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 m -61.45 -19.57 62.13 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 109.174 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -63.4 -38.8 92.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.943 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.4 m -74.35 -42.58 59.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -67.44 -52.06 44.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.064 -1.022 . . . . 0.0 109.611 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.75 -33.04 63.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.039 -1.038 . . . . 0.0 109.697 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.03 70.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.517 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 10' ' ' ARG . 15.8 mtt-85 -72.54 -33.05 66.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 34.1 m-85 -68.97 -53.29 21.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.148 -0.97 . . . . 0.0 109.343 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.59 -30.23 69.7 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 15' ' ' LEU . 53.4 mt-10 -82.04 -24.17 35.47 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.56 -0.79 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.193 -0.942 . . . . 0.0 109.509 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 13' ' ' GLU . 53.8 mt -88.18 160.03 17.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.029 -1.044 . . . . 0.0 109.246 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.57 150.62 48.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 0.0 108.994 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -52.49 -47.59 66.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.146 -0.971 . . . . 0.0 110.007 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.093 -1.004 . . . . 0.0 109.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.15 -29.49 70.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.146 -0.972 . . . . 0.0 108.942 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.62 -36.49 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 0.0 109.529 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -58.29 -41.77 85.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.237 -0.915 . . . . 0.0 109.329 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -57.12 -35.62 69.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.417 -0.802 . . . . 0.0 109.436 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.4 -39.77 81.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.334 -0.854 . . . . 0.0 110.042 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 40.1 mtm -72.02 -39.21 69.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.222 -0.924 . . . . 0.0 109.43 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.11 69.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.061 -1.024 . . . . 0.0 110.008 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.38 -49.28 56.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.881 -1.137 . . . . 0.0 109.565 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 30' ' ' TYR . 53.6 mt-10 -72.39 -30.2 64.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.204 -0.935 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.27 29.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.15 -0.968 . . . . 0.0 109.933 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.471 ' H ' ' C ' ' A' ' 28' ' ' GLU . 37.6 t80 -70.99 135.93 85.1 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 108.441 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -63.42 165.32 17.94 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 N-CA-C 109.553 -0.979 . . . . 0.0 109.553 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -64.08 137.08 55.33 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.063 1.175 . . . . 0.0 109.408 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -111.53 -24.7 9.98 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.6 tttp 57.46 38.31 28.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.906 . . . . 0.0 109.029 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.62 41.61 0.04 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -168.2 149.43 5.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -1.143 . . . . 0.0 109.172 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.0 tt -83.96 116.86 66.84 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.277 -0.889 . . . . 0.0 109.021 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -68.36 144.5 62.09 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.5 mm? -71.45 119.17 72.32 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -58.75 134.87 63.35 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 119.889 0.996 . . . . 0.0 109.815 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -64.63 -31.57 72.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.382 -0.824 . . . . 0.0 109.632 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.06 96.4 Favored Glycine 0 N--CA 1.505 3.274 0 C-N-CA 119.655 -1.259 . . . . 0.0 110.017 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -75.79 -31.59 59.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.713 -1.463 . . . . 0.0 109.433 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -75.12 -41.28 58.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 2.0 pp20? -73.6 -41.66 62.56 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.921 -1.112 . . . . 0.0 109.765 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.9 tttp -70.93 -16.4 62.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.939 -1.101 . . . . 0.0 109.569 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 130.76 44.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.2 167.73 19.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.642 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 2.0 p-80 -50.35 -44.55 54.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.986 -1.071 . . . . 0.0 110.325 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.25 -50.0 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.067 -1.021 . . . . 0.0 109.086 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -60.0 -35.15 74.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.198 -0.939 . . . . 0.0 109.606 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -52.0 64.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.174 -0.954 . . . . 0.0 109.206 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.69 69.85 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.11 -0.994 . . . . 0.0 109.867 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -73.19 -38.17 66.24 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.074 -1.016 . . . . 0.0 110.236 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.97 -35.72 69.62 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.813 -1.179 . . . . 0.0 109.369 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.4 ttt -71.71 -43.82 65.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.777 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -77.18 -37.11 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.873 -1.142 . . . . 0.0 110.024 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -76.8 -46.65 24.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.964 -1.085 . . . . 0.0 111.285 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -79.26 -41.48 28.07 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.822 -1.174 . . . . 0.0 112.164 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -92.93 -27.35 17.13 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 120.57 -1.331 . . . . 0.0 110.264 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.48 166.68 35.14 Favored Glycine 0 N--CA 1.501 2.994 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 4.5 tm-20 -70.81 -31.52 68.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -1.056 . . . . 0.0 110.104 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.38 -53.46 14.03 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.976 -1.078 . . . . 0.0 110.459 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.1 -39.42 65.82 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.968 -1.083 . . . . 0.0 110.294 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.01 68.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.908 -1.12 . . . . 0.0 109.666 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 11.1 m0 -66.16 -50.38 64.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 109.022 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.7 69.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.051 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.5 mmm -76.08 -33.52 59.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -70.74 -39.73 73.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -0.988 . . . . 0.0 110.25 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.0 -52.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.083 -1.011 . . . . 0.0 110.381 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -57.38 -32.46 66.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 110.33 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.0 mt -72.8 -34.85 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 120.563 -1.336 . . . . 0.0 109.241 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.3 m-30 -57.09 -47.32 81.33 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.649 -1.282 . . . . 0.0 109.53 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.03 69.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.928 -1.107 . . . . 0.0 109.779 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -46.89 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 110.156 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -84.49 19.51 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.988 -1.07 . . . . 0.0 109.505 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 54.1 86.45 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 109.782 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.57 30.18 0.32 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -47.39 -29.11 2.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.679 -0.638 . . . . 0.0 110.841 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.93 -51.39 59.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.993 -1.067 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.3 tp -57.74 -25.64 60.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 109.797 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.31 -39.81 74.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.829 -1.169 . . . . 0.0 108.684 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.2 -40.13 80.78 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.196 -0.94 . . . . 0.0 109.184 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -74.46 -43.1 57.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.353 -0.842 . . . . 0.0 109.289 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -34.26 68.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.283 -0.886 . . . . 0.0 109.722 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.64 -27.51 65.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.283 -0.886 . . . . 0.0 109.735 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -78.83 -28.33 44.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.964 -1.085 . . . . 0.0 109.96 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 22.8 t70 -90.41 -5.5 56.05 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.035 -1.041 . . . . 0.0 109.698 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.9 pt-20 -56.35 120.33 34.72 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.04 -1.038 . . . . 0.0 109.15 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -62.75 159.01 39.25 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 N-CA-C 109.314 -1.071 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.6 mttm . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 118.033 -0.984 . . . . 0.0 108.86 179.616 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.39 97.33 0.69 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.288 -0.883 . . . . 0.0 109.284 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -75.25 146.21 41.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.304 -0.873 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -65.24 -15.67 62.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 109.083 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -58.4 -47.75 82.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 0.0 109.519 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.5 -29.65 67.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.59 -48.46 48.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.157 -0.964 . . . . 0.0 110.206 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.07 -34.1 76.86 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.33 -27.81 63.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 108.839 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -66.56 -33.16 75.06 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.505 -0.747 . . . . 0.0 109.515 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' HH ' ' CB ' ' A' ' 88' ' ' ASP . 48.7 m-85 -75.16 -53.41 8.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.208 -0.933 . . . . 0.0 109.65 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.98 -26.25 65.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 108.853 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -81.9 -31.8 31.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.147 -0.971 . . . . 0.0 109.691 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.16 -1.12 38.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.921 -1.112 . . . . 0.0 110.736 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.18 156.6 19.61 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 108.618 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.33 150.23 48.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.849 . . . . 0.0 109.737 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.72 -47.73 81.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.0 110.352 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.95 -41.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.933 -1.104 . . . . 0.0 109.584 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -70.44 -29.23 65.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.021 . . . . 0.0 108.603 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.3 tp -65.1 -42.28 94.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.83 -45.69 91.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.429 -0.795 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -56.22 -32.81 64.77 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.1 -1.0 . . . . 0.0 109.642 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -65.09 -42.04 94.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.14 -0.975 . . . . 0.0 109.815 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -67.02 -48.76 67.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.908 -1.12 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt -59.9 -33.81 72.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.367 -0.833 . . . . 0.0 109.098 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -69.28 -30.85 69.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.442 -0.786 . . . . 0.0 109.742 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.74 -43.06 97.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.995 -1.066 . . . . 0.0 109.318 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 30' ' ' TYR . 2.2 mp0 -73.62 -29.55 62.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.056 -1.028 . . . . 0.0 109.01 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.25 3.15 0.96 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 109.792 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' H ' ' C ' ' A' ' 28' ' ' GLU . 33.5 t80 -63.58 119.97 58.63 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -63.62 151.69 83.86 Favored 'Trans proline' 0 CA--C 1.554 1.514 0 N-CA-C 109.485 -1.006 . . . . 0.0 109.485 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -67.27 144.68 69.38 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 120.96 1.107 . . . . 0.0 109.484 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -111.67 18.37 19.06 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 tttm 55.95 49.91 14.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 109.162 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.56 -44.65 0.28 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.3 p -60.48 136.73 58.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -1.093 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.9 tt -82.38 117.17 67.51 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 120.924 -1.11 . . . . 0.0 108.636 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -66.31 137.86 48.88 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 CA-C-N 119.719 0.936 . . . . 0.0 109.668 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 9.6 mp -83.66 119.65 74.03 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.11 140.09 86.36 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 120.001 1.036 . . . . 0.0 109.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.01 -32.92 74.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.293 -0.879 . . . . 0.0 109.178 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.45 -24.74 67.96 Favored Glycine 0 N--CA 1.502 3.058 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -74.44 -35.95 63.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.029 -1.277 . . . . 0.0 110.599 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 p -72.2 -55.76 6.69 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.864 -1.147 . . . . 0.0 110.561 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.59 -38.02 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 110.029 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.55 -17.06 62.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.77 -1.206 . . . . 0.0 108.787 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.08 139.06 31.47 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.542 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.35 170.36 16.5 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.285 -0.885 . . . . 0.0 108.904 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -57.46 -47.23 82.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.992 -1.067 . . . . 0.0 109.555 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.94 -49.04 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.053 -1.029 . . . . 0.0 108.597 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -34.69 72.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.286 -0.884 . . . . 0.0 109.501 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.1 -51.18 67.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.952 . . . . 0.0 109.442 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.97 69.43 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.163 -0.961 . . . . 0.0 109.625 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.9 m -73.24 -35.36 66.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.079 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.2 -34.91 68.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.883 -1.136 . . . . 0.0 109.165 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.43 -39.83 70.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.013 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.53 -41.5 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.767 -1.208 . . . . 0.0 110.079 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -77.2 -48.0 18.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.931 -1.106 . . . . 0.0 111.323 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -76.89 -41.81 42.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.997 -1.065 . . . . 0.0 112.112 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' SD ' ' A' ' 68' ' ' MET . 0.4 OUTLIER -93.11 -27.16 17.1 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.686 -1.259 . . . . 0.0 110.122 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.42 159.76 28.05 Favored Glycine 0 N--CA 1.504 3.191 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -70.66 -31.25 68.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -1.06 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -71.23 -52.91 16.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.077 -1.014 . . . . 0.0 110.419 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.68 -40.71 63.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.063 -1.023 . . . . 0.0 110.163 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.7 23.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.904 -1.122 . . . . 0.0 110.315 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.054 -1.029 . . . . 0.0 109.101 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.52 70.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.817 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.422 ' SD ' ' OD1' ' A' ' 60' ' ' ASN . 7.5 mtt -75.97 -32.63 59.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.146 -0.971 . . . . 0.0 109.197 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.98 -44.65 79.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 109.898 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.5 m -75.7 -39.23 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.14 -0.975 . . . . 0.0 110.088 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -67.3 -33.96 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.076 -1.015 . . . . 0.0 110.007 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.1 mt -72.83 -34.15 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 120.652 -1.28 . . . . 0.0 108.628 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.803 -1.185 . . . . 0.0 109.543 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.41 69.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 109.834 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -61.97 -43.15 99.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.115 -0.991 . . . . 0.0 109.673 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -72.95 14.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.087 -1.008 . . . . 0.0 108.887 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.599 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER 55.72 5.37 0.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 110.173 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 76' ' ' ILE . 14.4 mtt-85 -81.11 55.19 2.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.051 -1.031 . . . . 0.0 108.567 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' NH1' ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -54.96 -29.42 56.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.39 -0.819 . . . . 0.0 110.187 -179.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -59.23 -42.85 92.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.765 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.47 -26.11 68.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' CD2' ' NH2' ' A' ' 79' ' ' ARG . 84.0 t80 -71.58 -33.87 69.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.771 -1.206 . . . . 0.0 109.004 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.29 -41.98 99.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.175 -0.953 . . . . 0.0 108.734 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.61 -49.89 19.91 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.475 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.53 -31.54 62.18 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.839 . . . . 0.0 109.748 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -66.34 -27.69 68.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 109.659 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.42 -28.45 52.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.96 -1.087 . . . . 0.0 109.805 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.416 ' CB ' ' HH ' ' A' ' 11' ' ' TYR . 50.7 t0 -88.39 -4.63 58.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.006 -1.058 . . . . 0.0 109.733 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.7 pt-20 -56.37 122.39 49.25 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.1 -1.0 . . . . 0.0 109.018 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.21 154.5 62.59 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.4 tttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.333 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.03 101.08 0.81 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -69.89 132.04 45.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 108.965 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -35.16 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.209 -0.932 . . . . 0.0 108.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -52.76 -47.57 67.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.269 -0.894 . . . . 0.0 109.817 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.4 -32.13 69.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.268 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HZ1' ' CG ' ' A' ' 88' ' ' ASP . 17.2 tptm -65.47 -47.02 77.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.378 -0.827 . . . . 0.0 109.762 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.81 -33.38 74.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.058 -1.026 . . . . 0.0 109.015 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.86 77.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.965 -1.085 . . . . 0.0 109.469 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -68.93 -33.67 74.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.411 -0.806 . . . . 0.0 109.798 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.66 -55.15 5.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.954 -1.091 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.0 -26.65 62.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.105 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.45 -25.64 35.94 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.141 -0.974 . . . . 0.0 108.845 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.23 -1.71 2.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.729 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -96.26 156.05 16.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.172 -0.955 . . . . 0.0 109.337 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -65.54 150.67 48.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.442 -0.786 . . . . 0.0 109.195 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.51 -47.3 66.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.0 110.113 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.75 -39.44 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.132 -0.98 . . . . 0.0 109.583 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.29 -29.34 69.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.026 -1.046 . . . . 0.0 108.99 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.19 -38.81 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 108.781 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 6.4 ttpm? -68.75 -38.85 80.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.022 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 50.2 mttp -67.68 -27.84 67.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.113 -0.992 . . . . 0.0 109.184 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -67.1 -42.32 84.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 109.377 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -69.44 -43.44 73.31 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.421 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.5 -34.17 68.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 0.0 109.581 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -65.91 -37.6 86.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.184 -0.947 . . . . 0.0 109.103 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.05 -32.12 73.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.123 -0.985 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.38 -14.16 60.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.653 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.1 52.76 1.97 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.508 -0.745 . . . . 0.0 109.34 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -71.44 134.95 84.28 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.644 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.07 123.05 11.0 Favored 'Trans proline' 0 CA--C 1.559 1.741 0 N-CA-C 108.916 -1.225 . . . . 0.0 108.916 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -67.05 133.12 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 N-CA-C 109.315 -1.071 . . . . 0.0 109.315 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -107.55 -44.65 4.23 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.592 -0.693 . . . . 0.0 109.165 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -164.92 35.0 0.06 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 109.476 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.45 95.92 0.1 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 m -67.38 116.36 8.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -1.158 . . . . 0.0 109.795 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt -127.87 93.97 38.28 Favored Pre-proline 0 N--CA 1.507 2.402 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -73.23 137.6 26.31 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 N-CA-C 109.6 -0.961 . . . . 0.0 109.6 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.74 122.35 60.81 Favored Pre-proline 0 N--CA 1.499 1.992 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.08 133.45 41.08 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 120.03 1.046 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -65.13 -44.66 87.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.14 -34.67 74.13 Favored Glycine 0 N--CA 1.505 3.247 0 C-N-CA 119.8 -1.19 . . . . 0.0 110.562 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.81 -41.19 60.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.75 -1.441 . . . . 0.0 110.059 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.4 m -66.75 -45.59 78.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.866 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.52 -38.55 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.01 -1.056 . . . . 0.0 109.534 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.82 -17.41 62.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.837 -1.164 . . . . 0.0 109.065 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.13 127.83 34.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 0.0 109.581 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -79.96 168.24 19.46 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.184 -0.948 . . . . 0.0 108.448 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.635 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 2.2 p-80 -48.47 -40.95 28.18 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.915 -1.116 . . . . 0.0 110.596 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.0 -47.79 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.127 -0.983 . . . . 0.0 109.284 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.66 -35.07 79.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 0.0 109.805 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.48 -51.65 67.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.117 -0.989 . . . . 0.0 109.023 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.74 67.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 109.909 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.2 m -72.74 -36.33 67.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.123 -0.986 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -70.99 -34.66 71.58 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.9 -1.125 . . . . 0.0 108.84 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mmm -66.85 -40.1 87.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 109.293 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.29 -40.49 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.97 -1.081 . . . . 0.0 110.462 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.91 -46.6 23.81 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.725 -1.234 . . . . 0.0 111.555 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -72.7 -42.29 64.36 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.955 -1.091 . . . . 0.0 112.548 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -99.44 -27.68 13.62 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 120.76 -1.213 . . . . 0.0 110.787 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.45 165.65 24.56 Favored Glycine 0 N--CA 1.505 3.269 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.65 -34.18 71.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -1.137 . . . . 0.0 109.969 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.93 -52.43 20.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.314 -0.866 . . . . 0.0 110.975 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.48 -37.96 74.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.911 -1.118 . . . . 0.0 109.972 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -52.22 60.23 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.929 -1.107 . . . . 0.0 110.218 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -59.25 -47.41 85.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 108.954 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.85 -37.92 66.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.6 mtp -77.14 -32.5 56.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.9 70.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.9 . . . . 0.0 110.679 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.1 m -75.85 -41.13 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.948 -1.095 . . . . 0.0 110.721 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -66.79 -30.04 70.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.057 -1.027 . . . . 0.0 110.307 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.0 mt -72.86 -41.9 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.655 -1.278 . . . . 0.0 109.661 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -56.99 -46.96 81.89 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.322 -1.486 . . . . 0.0 109.749 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -28.02 68.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.938 -1.102 . . . . 0.0 109.809 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -65.35 -46.8 78.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.124 -0.985 . . . . 0.0 110.269 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.14 19.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.127 -0.983 . . . . 0.0 108.537 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 75' ' ' ALA . 37.2 m-80 58.83 16.92 4.83 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.64 -0.662 . . . . 0.0 110.109 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 52.75 1.44 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.121 -0.987 . . . . 0.0 108.571 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -53.09 -36.97 61.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.761 . . . . 0.0 110.977 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.84 -48.64 70.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.839 -1.163 . . . . 0.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -26.55 61.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 108.845 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.99 -35.17 62.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.476 -1.39 . . . . 0.0 109.525 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -60.71 -44.89 96.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.966 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.29 -34.28 61.29 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.984 -1.072 . . . . 0.0 110.145 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.86 70.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 110.179 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -28.44 64.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.047 . . . . 0.0 109.413 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.31 -24.82 62.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.087 -1.008 . . . . 0.0 109.95 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.473 ' CG ' ' HZ1' ' A' ' 7' ' ' LYS . 19.5 t70 -96.15 -3.25 44.81 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.243 -0.911 . . . . 0.0 110.147 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.78 117.08 31.8 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.093 -1.005 . . . . 0.0 108.358 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.47 157.67 53.67 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 N-CA-C 109.404 -1.037 . . . . 0.0 109.404 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.22 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.61 97.31 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 109.509 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -72.53 138.37 46.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.311 -0.868 . . . . 0.0 109.084 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.2 m -66.05 -19.56 65.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.321 -0.862 . . . . 0.0 109.195 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -57.13 -49.77 74.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.93 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.0 m -68.64 -28.34 66.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.159 -0.963 . . . . 0.0 109.412 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -69.02 -45.53 70.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.19 -46.07 90.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.137 -0.977 . . . . 0.0 108.437 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.07 82.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.009 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -55.76 -33.21 64.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.387 -0.821 . . . . 0.0 109.785 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -77.57 -56.34 4.61 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.104 -0.998 . . . . 0.0 109.919 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 -26.16 64.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.945 -1.097 . . . . 0.0 108.919 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.5 -25.73 38.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -80.89 -4.49 55.03 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.189 -0.945 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.16 169.41 10.42 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 120.826 -1.171 . . . . 0.0 109.639 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.45 149.99 49.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.594 -0.691 . . . . 0.0 109.617 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.27 -40.52 74.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.897 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.97 -32.39 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.12 -0.987 . . . . 0.0 109.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.8 -29.34 66.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.928 -1.108 . . . . 0.0 108.218 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -45.73 91.12 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.56 -38.16 88.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.83 -0.543 . . . . 0.0 110.976 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.15 -28.0 64.99 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.826 -1.171 . . . . 0.0 110.122 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -68.6 -40.7 80.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.912 -1.118 . . . . 0.0 109.592 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.65 -48.15 64.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.134 . . . . 0.0 108.752 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.425 ' SD ' ' OD2' ' A' ' 29' ' ' ASP . 12.5 tmm? -51.64 -33.92 35.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.58 -0.7 . . . . 0.0 109.759 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.31 -43.42 81.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.256 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.46 -31.26 62.19 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.052 -1.03 . . . . 0.0 109.052 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.8 -17.85 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' OD2' ' SD ' ' A' ' 25' ' ' MET . 30.2 p30 -143.74 52.0 1.33 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.309 -0.869 . . . . 0.0 109.462 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -70.57 135.6 86.1 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -64.69 122.93 10.94 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 N-CA-C 108.83 -1.258 . . . . 0.0 108.83 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -65.45 132.84 32.53 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 N-CA-C 109.086 -1.159 . . . . 0.0 109.086 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -87.1 -44.51 11.48 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.101 -1.0 . . . . 0.0 108.854 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -169.53 90.35 0.2 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.342 -0.849 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.09 23.99 73.12 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.26 150.37 25.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -1.114 . . . . 0.0 109.57 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -83.65 118.04 70.35 Favored Pre-proline 0 N--CA 1.495 1.825 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -67.23 137.8 44.91 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.2 mm? -82.69 119.33 74.33 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.72 133.34 50.62 Favored 'Trans proline' 0 C--O 1.21 -0.913 0 CA-C-N 119.987 1.031 . . . . 0.0 109.601 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -65.54 -31.59 72.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.311 -0.868 . . . . 0.0 110.058 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.3 -40.32 22.26 Favored Glycine 0 N--CA 1.507 3.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.666 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' ALA . 17.0 pt20 -74.33 -39.72 62.66 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.473 -1.604 . . . . 0.0 110.25 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.681 ' HG1' ' H ' ' A' ' 45' ' ' GLU . 30.6 p -55.8 -55.69 29.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.681 ' H ' ' HG1' ' A' ' 44' ' ' THR . 22.4 pt-20 -61.65 -39.08 90.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.066 -1.021 . . . . 0.0 109.6 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -77.42 -16.68 58.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.923 -1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -79.54 124.33 28.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.194 -0.941 . . . . 0.0 109.787 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -80.32 174.14 11.89 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.151 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -53.34 -45.25 69.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.881 -1.137 . . . . 0.0 109.99 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.16 -52.38 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.013 -1.054 . . . . 0.0 108.77 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.14 -34.3 68.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.693 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -55.58 -50.21 70.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.944 -1.097 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.96 70.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 109.6 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.6 m -70.57 -36.1 73.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.147 -0.97 . . . . 0.0 110.133 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.89 -34.86 69.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.942 -1.099 . . . . 0.0 109.059 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.63 -41.65 71.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.0 109.761 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.7 mt -77.74 -38.43 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 120.845 -1.159 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.08 -46.16 24.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.886 -1.134 . . . . 0.0 111.607 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -77.25 -42.28 37.83 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.92 -1.112 . . . . 0.0 112.116 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -94.66 -27.3 15.94 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 120.61 -1.306 . . . . 0.0 110.351 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.86 163.55 28.96 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.39 -33.7 71.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.212 -1.169 . . . . 0.0 109.892 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.73 -52.77 22.52 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.006 . . . . 0.0 110.494 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -72.27 -38.27 68.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.918 -1.114 . . . . 0.0 110.583 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -55.67 24.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.845 -1.159 . . . . 0.0 110.251 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -57.48 -38.87 75.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.078 -1.014 . . . . 0.0 108.973 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.37 88.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.203 -0.936 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.98 -32.56 59.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.253 -0.904 . . . . 0.0 109.114 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -58.55 -37.77 76.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.85 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.07 -54.82 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.254 -0.904 . . . . 0.0 110.224 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -54.41 -29.69 49.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.826 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.47 -42.28 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.353 0 O-C-N 120.479 -1.388 . . . . 0.0 109.985 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -56.48 -46.76 80.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.388 -1.445 . . . . 0.0 109.779 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.84 68.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.99 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.952 . . . . 0.0 110.402 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.74 19.29 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 121.048 -1.033 . . . . 0.0 109.363 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 59.02 82.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 0.0 110.277 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -155.53 33.92 0.37 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 79' ' ' ARG . 4.6 ptt-85 -47.6 -29.01 2.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.17 -32.01 65.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.917 -1.114 . . . . 0.0 109.274 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.5 tp -69.62 -26.52 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.15 -34.1 68.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.71 -1.244 . . . . 0.0 108.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.91 -44.05 86.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -76.56 -36.43 57.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.916 -1.115 . . . . 0.0 110.109 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.73 80.35 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.214 -0.929 . . . . 0.0 111.044 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -28.57 70.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.744 -1.223 . . . . 0.0 109.432 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.98 -30.27 62.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.127 -0.983 . . . . 0.0 109.563 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -98.92 -5.24 31.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.353 -0.842 . . . . 0.0 109.689 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -56.96 115.14 9.5 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.207 -0.933 . . . . 0.0 109.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.07 160.0 31.97 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.146 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 115.23 6.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -69.89 131.75 44.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.0 m -83.92 -22.41 31.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.247 -0.908 . . . . 0.0 109.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -69.67 -42.53 74.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.242 -0.911 . . . . 0.0 109.673 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -71.64 -40.25 69.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 109.987 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.46 -49.33 27.37 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.15 -0.969 . . . . 0.0 110.141 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.48 -33.23 72.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.925 -1.109 . . . . 0.0 109.373 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.01 72.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -33.08 74.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 109.44 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.0 -52.62 40.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 109.07 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -61.19 -30.56 70.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.262 -0.898 . . . . 0.0 108.733 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 15' ' ' LEU . 46.8 mt-10 -82.51 -28.29 31.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.323 -0.86 . . . . 0.0 109.274 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.31 0.98 0.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.011 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 13' ' ' GLU . 28.1 mt -87.51 162.66 17.1 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.831 -1.168 . . . . 0.0 109.605 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 21.4 mp0 -69.89 156.23 39.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.444 -0.785 . . . . 0.0 109.391 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.17 -42.24 80.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.797 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.77 -39.66 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.209 -0.932 . . . . 0.0 109.599 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -71.57 -29.11 64.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.55 -38.22 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.202 -0.936 . . . . 0.0 109.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -40.36 72.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 0.0 110.244 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 6.2 mptp? -64.37 -33.7 76.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.127 -0.983 . . . . 0.0 109.233 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -66.21 -39.43 89.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.992 -1.068 . . . . 0.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.85 -42.04 81.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.971 -1.081 . . . . 0.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.2 ttm -66.77 -35.96 81.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.14 -0.975 . . . . 0.0 109.869 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 26.0 m80 -69.34 -38.64 78.26 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.178 -0.951 . . . . 0.0 109.274 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 tp -74.18 -32.08 62.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.959 -1.088 . . . . 0.0 109.168 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.46 -35.01 75.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.266 -0.896 . . . . 0.0 110.108 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -100.57 51.44 0.88 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.39 -0.819 . . . . 0.0 109.677 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -70.35 120.15 76.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.057 -1.027 . . . . 0.0 108.865 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.65 123.69 12.44 Favored 'Trans proline' 0 CA--C 1.561 1.858 0 N-CA-C 109.06 -1.169 . . . . 0.0 109.06 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -64.44 141.91 76.28 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 N-CA-C 109.479 -1.008 . . . . 0.0 109.479 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -97.34 -44.72 6.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.397 -0.814 . . . . 0.0 109.739 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -167.12 52.16 0.07 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.08 -1.013 . . . . 0.0 110.09 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 32.03 4.32 Favored Glycine 0 N--CA 1.505 3.25 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.16 151.26 47.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -1.166 . . . . 0.0 109.217 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.01 113.8 50.18 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -70.06 137.57 34.9 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 CA-C-N 120.042 1.051 . . . . 0.0 109.64 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.97 119.66 70.52 Favored Pre-proline 0 N--CA 1.496 1.871 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.44 144.17 84.59 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 CA-C-N 120.001 1.036 . . . . 0.0 109.713 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.27 -34.49 78.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 0.0 109.514 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.02 -24.9 55.72 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -74.51 -51.83 13.61 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.938 -1.33 . . . . 0.0 109.955 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.6 p -63.17 -49.34 74.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 109.989 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.1 -40.37 97.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.749 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -78.27 -17.48 56.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.503 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.17 130.07 39.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.206 -0.933 . . . . 0.0 109.627 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.24 167.68 20.0 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -51.91 -41.61 62.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 110.1 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.12 -48.97 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.04 -1.038 . . . . 0.0 108.97 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.38 -35.91 76.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 109.764 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.91 -51.95 67.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.024 -1.047 . . . . 0.0 109.078 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.71 69.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.007 -1.058 . . . . 0.0 109.614 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.3 m -72.27 -33.55 67.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.176 -0.952 . . . . 0.0 110.041 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.7 -34.4 69.59 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 108.851 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mmm -68.35 -41.56 80.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.936 . . . . 0.0 109.537 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.8 mt -78.05 -40.13 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.958 -1.089 . . . . 0.0 110.27 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.95 -44.85 29.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.782 -1.199 . . . . 0.0 111.372 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -73.15 -41.71 63.62 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.935 -1.103 . . . . 0.0 112.162 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -100.8 -27.47 13.33 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.811 -1.181 . . . . 0.0 111.025 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.13 165.26 24.83 Favored Glycine 0 N--CA 1.505 3.28 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.85 -37.06 73.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.08 -1.247 . . . . 0.0 110.476 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.65 -53.13 14.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.992 -1.068 . . . . 0.0 110.698 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.68 -38.02 80.02 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.018 -1.052 . . . . 0.0 110.476 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.23 -40.56 74.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.847 -1.158 . . . . 0.0 109.578 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -64.53 -37.66 88.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.0 108.902 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.3 88.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.903 . . . . 0.0 109.905 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.83 -37.22 59.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.092 -1.005 . . . . 0.0 109.246 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -63.41 -41.25 98.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.265 -0.897 . . . . 0.0 109.313 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -75.8 -41.91 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.82 . . . . 0.0 109.903 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -64.68 -34.04 77.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.9 -1.125 . . . . 0.0 110.01 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.91 -33.68 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.65 -1.281 . . . . 0.0 108.837 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' ' NH2' ' A' ' 78' ' ' ARG . 4.0 m-30 -56.81 -47.18 80.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.857 -1.152 . . . . 0.0 109.853 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.86 69.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.826 -1.171 . . . . 0.0 109.972 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.86 77.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.164 -0.96 . . . . 0.0 110.532 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 pt -90.03 19.64 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.022 -1.049 . . . . 0.0 109.712 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 1.6 m120 58.67 91.92 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.481 -0.762 . . . . 0.0 110.857 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.559 ' NH2' ' CE2' ' A' ' 73' ' ' PHE . 53.3 mtp180 -144.81 29.21 1.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -47.31 -37.44 10.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.586 -0.696 . . . . 0.0 110.606 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.4 -54.19 8.11 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.125 -0.984 . . . . 0.0 110.098 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -26.52 62.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.182 -0.949 . . . . 0.0 109.125 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.83 -38.61 73.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.957 -1.089 . . . . 0.0 108.773 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.4 -40.64 82.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.138 -0.976 . . . . 0.0 109.254 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.52 -43.63 54.97 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.347 -0.845 . . . . 0.0 109.39 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.98 72.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.02 -27.5 68.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -75.55 -29.29 59.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.937 -1.102 . . . . 0.0 109.562 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.23 -12.63 34.69 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.11 -0.994 . . . . 0.0 109.706 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.45 109.57 1.7 Allowed Pre-proline 0 N--CA 1.504 2.266 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.496 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.58 153.49 77.05 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.797 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.4 105.64 0.75 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.42 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -69.93 131.78 44.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 m -78.83 -20.55 49.4 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.267 -0.895 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -56.91 -51.17 70.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.183 -0.948 . . . . 0.0 109.747 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.3 m -71.38 -23.79 61.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.183 -0.948 . . . . 0.0 109.837 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -73.65 -52.02 14.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.203 -0.935 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.64 -34.56 75.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.032 -1.042 . . . . 0.0 109.48 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.45 80.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.19 -0.944 . . . . 0.0 108.913 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -57.06 -33.1 66.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 109.531 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -70.89 -52.99 16.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.687 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.73 -28.71 68.88 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.446 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -81.71 -24.45 36.17 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.317 -0.865 . . . . 0.0 108.816 179.061 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.81 -2.04 11.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.169 -0.957 . . . . 0.0 110.025 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.15 159.41 15.03 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 121.022 -1.048 . . . . 0.0 109.386 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.54 159.49 24.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.4 -0.813 . . . . 0.0 109.788 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -47.3 86.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.328 -0.857 . . . . 0.0 109.888 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -32.51 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.982 -1.074 . . . . 0.0 109.132 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.42 -29.24 65.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.979 -1.075 . . . . 0.0 108.41 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.9 -31.39 70.27 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.87 -32.49 70.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.674 -0.641 . . . . 0.0 109.926 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.18 -27.98 59.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.104 -0.997 . . . . 0.0 109.779 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -71.9 -40.33 68.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.982 -1.074 . . . . 0.0 110.092 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -69.86 -46.21 66.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 109.946 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.4 ttm -58.75 -40.67 84.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.586 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.422 ' N ' ' HD1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -70.25 -31.06 68.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.189 -0.944 . . . . 0.0 109.72 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.66 -52.43 31.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.145 -0.972 . . . . 0.0 109.965 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 30' ' ' TYR . 11.5 pt-20 -65.73 -36.26 83.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.0 109.961 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -78.4 36.48 0.25 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.067 -1.021 . . . . 0.0 109.713 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.408 ' H ' ' C ' ' A' ' 28' ' ' GLU . 65.5 t80 -73.47 119.58 76.62 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.185 -0.947 . . . . 0.0 109.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -68.68 125.38 12.64 Favored 'Trans proline' 0 CA--C 1.559 1.755 0 N-CA-C 108.943 -1.214 . . . . 0.0 108.943 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.15 142.71 88.04 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 N-CA-C 109.237 -1.101 . . . . 0.0 109.237 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -110.68 -44.84 3.59 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.535 -0.728 . . . . 0.0 109.815 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -170.04 95.59 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.22 -0.925 . . . . 0.0 109.516 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.23 -1.88 39.41 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.51 125.86 24.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.167 -1.196 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 tt -83.26 117.2 67.89 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.103 -0.998 . . . . 0.0 109.066 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -67.81 142.71 58.6 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.5 119.73 75.65 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.12 133.89 57.54 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 CA-C-N 119.921 1.008 . . . . 0.0 109.988 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -64.46 -32.1 73.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.662 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.41 93.46 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.564 -1.303 . . . . 0.0 110.265 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -75.05 -39.31 61.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.705 -1.468 . . . . 0.0 109.873 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.9 m -63.7 -52.5 60.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.009 . . . . 0.0 109.893 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.79 -36.67 85.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.995 -1.065 . . . . 0.0 109.447 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -70.57 -15.41 62.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.825 -1.172 . . . . 0.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.68 131.48 36.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.273 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 34.6 t70 -80.13 -179.9 7.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.235 -0.915 . . . . 0.0 109.294 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.478 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 27.1 m-70 -60.28 -47.77 84.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.606 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.17 -48.19 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.95 -1.094 . . . . 0.0 108.742 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.59 -34.47 75.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.64 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.45 -51.19 65.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.35 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.83 69.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.237 -0.914 . . . . 0.0 109.575 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.9 m -70.35 -35.65 73.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.061 -1.025 . . . . 0.0 110.122 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.12 -34.76 71.37 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.038 -1.039 . . . . 0.0 109.118 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 91.2 mtp -71.49 -41.82 68.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.951 . . . . 0.0 109.628 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.8 mt -77.93 -36.97 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.848 -1.158 . . . . 0.0 110.161 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 -46.15 25.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.71 -1.244 . . . . 0.0 111.51 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -78.78 -42.3 28.28 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.809 -1.182 . . . . 0.0 112.563 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.624 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.8 OUTLIER -96.47 -27.42 14.89 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.666 -1.271 . . . . 0.0 110.655 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.22 165.78 29.95 Favored Glycine 0 N--CA 1.503 3.119 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.88 -30.96 67.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -1.193 . . . . 0.0 110.13 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.51 -52.81 19.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.224 -0.923 . . . . 0.0 110.757 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -73.34 -41.52 63.36 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.911 -1.118 . . . . 0.0 110.15 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.48 69.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.836 -1.165 . . . . 0.0 109.874 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -57.5 -46.56 83.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.249 -0.907 . . . . 0.0 109.055 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.84 71.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.127 -0.983 . . . . 0.0 109.972 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mtp -75.85 -32.61 59.84 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.201 -0.937 . . . . 0.0 109.361 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.69 -37.84 85.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.178 -0.951 . . . . 0.0 109.818 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.01 -48.11 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.182 -0.949 . . . . 0.0 110.311 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.01 -33.06 72.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.046 . . . . 0.0 110.429 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.0 mt -72.92 -34.35 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 120.516 -1.365 . . . . 0.0 109.044 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.8 m-30 -57.24 -47.3 81.72 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.868 -1.145 . . . . 0.0 109.76 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.17 69.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.905 -1.122 . . . . 0.0 109.845 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.73 80.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.12 -0.987 . . . . 0.0 110.089 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -83.98 18.76 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.119 -0.988 . . . . 0.0 109.684 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 56.04 83.72 0.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.339 -0.851 . . . . 0.0 109.721 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -159.3 30.53 0.2 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -50.26 -32.42 16.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.672 -0.643 . . . . 0.0 111.093 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -58.58 -40.62 83.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.673 -1.267 . . . . 0.0 109.545 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.36 -25.95 67.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.929 . . . . 0.0 110.18 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -70.25 -35.93 74.12 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.695 -1.253 . . . . 0.0 108.54 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -62.39 -42.95 99.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.126 -0.984 . . . . 0.0 108.758 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.09 -44.53 63.09 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.84 -32.1 51.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -70.78 -27.7 64.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 87' ' ' ARG . 1.9 mmt-85 -78.87 -28.49 44.19 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.828 -1.17 . . . . 0.0 109.874 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.33 -3.46 50.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 109.502 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.6 109.49 1.59 Allowed Pre-proline 0 N--CA 1.503 2.192 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.15 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -63.61 151.86 83.05 Favored 'Trans proline' 0 C--O 1.214 -0.723 0 N-CA-C 109.452 -1.018 . . . . 0.0 109.452 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.19 -0.91 . . . . 0.0 109.869 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.45 114.82 1.04 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.204 -0.935 . . . . 0.0 109.443 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.4 t -69.76 151.34 45.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.277 -0.889 . . . . 0.0 109.278 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 m -67.49 -20.12 65.42 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -60.43 -51.09 70.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 0.0 109.74 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 3' ' ' SER . 20.0 p -70.62 -27.71 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.09 -43.13 68.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.191 -0.943 . . . . 0.0 109.681 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.42 -43.85 80.23 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.232 -0.918 . . . . 0.0 108.881 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -39.82 93.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.877 -1.139 . . . . 0.0 108.872 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -57.24 -33.08 67.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.22 -55.26 11.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.159 -0.963 . . . . 0.0 109.365 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.36 -26.56 68.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.067 -1.021 . . . . 0.0 108.753 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.34 -30.08 33.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.423 -0.798 . . . . 0.0 109.434 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.69 -2.41 9.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.973 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.27 168.38 11.13 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.917 -1.114 . . . . 0.0 109.038 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.82 164.37 26.13 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.321 -0.862 . . . . 0.0 109.062 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.58 -47.34 76.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.15 -33.02 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.961 -1.087 . . . . 0.0 108.819 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.24 -29.22 67.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.978 -1.076 . . . . 0.0 108.18 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.57 -31.21 71.78 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -66.19 -43.24 87.4 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.676 -0.64 . . . . 0.0 109.974 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 2.1 mptm? -63.49 -29.72 70.96 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.153 -0.967 . . . . 0.0 109.32 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.95 -43.25 71.95 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.888 -1.132 . . . . 0.0 109.978 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.37 -47.15 51.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.984 -1.073 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.6 ttt -58.13 -38.82 77.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 109.573 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 2.3 m80 -69.95 -31.18 68.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.111 -0.993 . . . . 0.0 109.338 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.06 -41.64 86.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.108 -0.995 . . . . 0.0 109.322 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.01 -31.96 72.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -89.62 29.54 1.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.2 -0.938 . . . . 0.0 109.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.15 120.19 62.27 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 108.895 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -65.14 128.49 20.66 Favored 'Trans proline' 0 CA--C 1.559 1.768 0 N-CA-C 108.761 -1.284 . . . . 0.0 108.761 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -64.54 135.49 45.95 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 N-CA-C 109.411 -1.034 . . . . 0.0 109.411 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -97.42 -45.19 6.54 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.386 -0.821 . . . . 0.0 109.388 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -170.48 94.22 0.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.235 -0.916 . . . . 0.0 109.43 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.73 15.54 68.95 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.45 131.82 51.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -1.156 . . . . 0.0 109.365 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.59 114.24 52.25 Favored Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -66.51 137.8 47.83 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 120.077 1.063 . . . . 0.0 109.908 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.15 123.41 88.01 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -52.29 135.77 53.99 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 CA-C-N 120.024 1.044 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.458 HH12 ' CD ' ' A' ' 45' ' ' GLU . 2.4 ttt-85 -63.9 -48.67 75.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.82 -29.4 50.13 Favored Glycine 0 N--CA 1.504 3.202 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -75.06 -40.07 60.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.069 -1.253 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -69.84 -46.97 64.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.214 -0.929 . . . . 0.0 109.758 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' CD ' HH12 ' A' ' 41' ' ' ARG . 70.2 mm-40 -59.89 -39.65 86.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.967 -1.083 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -75.2 -14.76 60.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.904 -1.123 . . . . 0.0 109.147 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.22 126.05 30.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.224 -0.923 . . . . 0.0 109.617 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.35 169.63 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 109.089 179.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.664 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 1.9 p-80 -52.16 -44.87 64.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.121 -0.987 . . . . 0.0 110.101 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -68.71 -49.61 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.147 -0.97 . . . . 0.0 108.871 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -34.13 70.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.357 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -51.67 66.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.043 -1.035 . . . . 0.0 108.977 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.79 65.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 m -73.81 -33.34 64.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.099 -1.0 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.95 -34.72 69.22 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.91 -1.119 . . . . 0.0 108.799 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.7 mmm -70.96 -42.98 69.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 109.642 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -77.81 -38.03 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.962 -1.086 . . . . 0.0 110.23 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -76.87 -42.33 40.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.875 -1.141 . . . . 0.0 111.546 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -83.24 -41.94 17.78 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.794 -1.191 . . . . 0.0 112.548 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -98.53 -27.88 13.84 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.29 176.33 39.01 Favored Glycine 0 N--CA 1.504 3.215 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 36.2 mp0 -70.94 -44.49 66.01 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.334 -1.098 . . . . 0.0 110.865 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -64.17 -49.27 72.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.802 -1.186 . . . . 0.0 112.041 -177.36 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 88.9 mttt -73.83 -42.18 61.23 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.346 -1.471 . . . . 0.0 109.661 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.66 -50.39 65.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.917 -1.114 . . . . 0.0 110.287 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -60.58 -35.3 75.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.125 -0.985 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.15 88.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.225 -0.922 . . . . 0.0 109.718 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.9 mtp -76.36 -32.31 58.55 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.219 -0.926 . . . . 0.0 109.295 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.77 81.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.913 . . . . 0.0 110.319 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.67 -40.42 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.114 -0.991 . . . . 0.0 110.234 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -65.98 -29.55 69.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.198 -0.938 . . . . 0.0 110.408 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.27 -42.25 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.506 -1.371 . . . . 0.0 109.621 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -56.84 -47.41 80.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.332 -1.48 . . . . 0.0 109.769 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.68 68.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.727 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.78 64.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 110.799 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.52 18.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.795 -1.19 . . . . 0.0 110.411 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.38 75.44 0.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.157 -0.965 . . . . 0.0 109.738 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -143.49 45.47 1.51 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -46.24 -32.94 3.34 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -54.53 -40.66 68.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.992 -1.068 . . . . 0.0 109.693 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.77 -25.36 66.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.824 . . . . 0.0 109.031 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -67.29 -33.77 75.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.861 -1.15 . . . . 0.0 109.176 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.66 -47.27 48.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.899 . . . . 0.0 110.365 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -74.58 -36.61 63.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.107 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.62 76.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.959 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -70.66 -27.48 64.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.174 -0.954 . . . . 0.0 110.092 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -83.71 -27.32 29.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.848 -1.157 . . . . 0.0 110.247 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -86.07 -2.63 58.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.019 -1.051 . . . . 0.0 110.02 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.33 114.8 8.37 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 121.099 -1.001 . . . . 0.0 108.464 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.68 157.06 53.68 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 118.019 -0.991 . . . . 0.0 108.947 179.734 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.68 97.01 1.01 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.246 -0.909 . . . . 0.0 109.69 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.537 ' HG ' ' H ' ' A' ' 4' ' ' THR . 10.2 t -84.64 173.27 10.88 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.243 -0.911 . . . . 0.0 109.022 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.537 ' H ' ' HG ' ' A' ' 3' ' ' SER . 5.0 m -67.78 -23.09 65.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.077 -1.014 . . . . 0.0 108.826 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 5' ' ' ARG . 20.5 mtt-85 -60.28 -51.02 71.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 109.523 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 3' ' ' SER . 20.5 p -59.68 -34.05 72.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.244 -0.91 . . . . 0.0 109.3 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.84 -51.83 55.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.296 -0.878 . . . . 0.0 109.467 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.19 -32.58 48.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.907 -1.12 . . . . 0.0 109.643 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.54 79.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.205 -0.934 . . . . 0.0 110.069 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.6 -33.82 73.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.157 -0.964 . . . . 0.0 110.054 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -72.07 -43.67 64.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -73.52 -26.75 61.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.097 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -81.79 -27.51 33.68 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -61.48 -5.63 1.88 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 109.852 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.33 160.44 26.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.209 -0.932 . . . . 0.0 109.788 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.57 161.72 30.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.499 -0.751 . . . . 0.0 109.406 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -47.67 81.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.955 . . . . 0.0 109.907 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.38 -32.45 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.023 -1.048 . . . . 0.0 108.96 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.02 -28.96 63.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.922 -1.111 . . . . 0.0 108.396 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -39.05 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.2 -39.84 78.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.267 -0.895 . . . . 0.0 110.371 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -66.69 -40.41 88.51 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.033 -1.042 . . . . 0.0 109.925 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -63.47 -44.39 94.58 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.28 -0.887 . . . . 0.0 109.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -72.91 -48.16 39.48 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.023 -1.048 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.81 -38.93 92.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 0.0 109.776 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -69.78 -31.0 68.69 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.02 -50.27 71.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.194 -0.941 . . . . 0.0 109.7 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.48 -26.95 64.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.078 -1.014 . . . . 0.0 110.103 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -76.53 15.36 0.63 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.076 -1.015 . . . . 0.0 110.08 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -66.35 123.31 85.13 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.054 -1.029 . . . . 0.0 108.248 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -62.37 165.97 14.09 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 CA-C-N 119.882 0.994 . . . . 0.0 109.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -66.4 138.44 50.63 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 121.225 1.284 . . . . 0.0 109.636 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.471 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -111.8 22.34 15.05 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 36.4 47.91 0.54 Allowed 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.471 0.653 . . . . 0.0 111.381 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.95 -74.01 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.6 t -64.94 151.48 45.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 109.326 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -82.98 133.14 48.93 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.171 -0.955 . . . . 0.0 108.475 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.37 141.98 89.23 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 N-CA-C 109.688 -0.928 . . . . 0.0 109.688 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 9.7 mp -75.97 119.59 77.86 Favored Pre-proline 0 N--CA 1.494 1.738 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -56.18 135.95 72.66 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 CA-C-N 119.903 1.001 . . . . 0.0 109.79 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -64.25 -31.71 73.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.356 -0.84 . . . . 0.0 109.714 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.15 95.13 Favored Glycine 0 N--CA 1.502 3.044 0 C-N-CA 119.571 -1.3 . . . . 0.0 110.112 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.27 -52.06 11.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.859 -1.377 . . . . 0.0 109.965 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.6 m -60.95 -35.16 76.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -0.982 . . . . 0.0 109.649 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.86 -42.14 73.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.207 -0.933 . . . . 0.0 109.328 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.21 -11.71 54.3 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.846 -1.159 . . . . 0.0 109.528 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 129.9 41.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.38 171.82 14.57 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.345 -0.847 . . . . 0.0 108.775 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -56.52 -45.38 81.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.007 -1.058 . . . . 0.0 109.735 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.31 -52.64 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.056 -1.028 . . . . 0.0 108.986 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.63 -35.87 71.06 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 109.671 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.33 -49.54 71.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.148 -0.97 . . . . 0.0 109.627 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -29.06 69.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.155 -0.966 . . . . 0.0 110.007 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -71.73 -34.34 69.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.972 -1.08 . . . . 0.0 110.032 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.43 -34.8 70.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.05 -1.031 . . . . 0.0 108.598 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 ttm -67.59 -40.67 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.332 -0.855 . . . . 0.0 109.65 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.0 -35.56 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.743 -1.223 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.82 -51.07 12.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.764 -1.21 . . . . 0.0 111.834 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.3 -41.91 38.92 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.543 -1.348 . . . . 0.0 112.371 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -92.69 -27.45 17.26 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 120.267 -1.52 . . . . 0.0 110.478 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 164.06 31.09 Favored Glycine 0 N--CA 1.503 3.16 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.02 -34.49 73.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 110.339 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -53.24 19.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.035 -1.041 . . . . 0.0 110.424 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -72.23 -37.83 69.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.972 -1.08 . . . . 0.0 110.431 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.51 -49.72 66.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.746 -1.221 . . . . 0.0 109.854 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 108.656 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.4 72.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.2 mmm -76.21 -34.37 59.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.128 -0.983 . . . . 0.0 109.072 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 73' ' ' PHE . . . -65.14 -41.45 94.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.21 -0.931 . . . . 0.0 110.094 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.71 -41.57 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.647 -1.283 . . . . 0.0 110.317 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -73.23 -30.24 63.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.061 -1.025 . . . . 0.0 111.296 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 tt -72.07 -45.62 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 120.515 -1.366 . . . . 0.0 109.783 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 69' ' ' ALA . 20.0 m-85 -56.82 -46.48 81.62 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.545 -1.347 . . . . 0.0 109.492 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.04 -28.03 55.71 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.775 -1.203 . . . . 0.0 110.081 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -64.67 -46.68 81.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.081 -1.012 . . . . 0.0 109.986 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.9 pt -79.88 19.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.098 -1.002 . . . . 0.0 109.428 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 75' ' ' ALA . 58.2 m-80 54.45 24.89 5.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.715 -0.616 . . . . 0.0 111.171 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -92.53 50.63 1.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.002 -1.061 . . . . 0.0 108.341 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.8 ttt-85 -55.18 -27.72 47.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.829 -0.544 . . . . 0.0 111.527 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -52.36 -46.56 66.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.697 -1.252 . . . . 0.0 110.876 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.78 -26.26 66.01 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.793 -1.192 . . . . 0.0 109.595 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -62.48 -33.75 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.508 -1.37 . . . . 0.0 108.787 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -72.65 -41.52 65.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.868 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -74.22 -52.81 11.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.974 -1.079 . . . . 0.0 110.099 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.68 -29.02 36.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.108 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -67.93 -27.53 66.7 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -79.81 -28.9 40.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.969 -1.082 . . . . 0.0 109.969 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.23 -2.78 58.07 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.06 -1.025 . . . . 0.0 109.739 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 10.2 pt-20 -55.74 120.05 29.86 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.184 -0.948 . . . . 0.0 108.999 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.74 151.48 83.61 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 N-CA-C 109.537 -0.986 . . . . 0.0 109.537 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.7 tttm . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.843 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.51 107.07 0.77 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -72.55 132.01 43.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 109.583 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.64 -25.64 57.06 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.251 -0.906 . . . . 0.0 109.237 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -61.46 -39.4 90.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.664 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -70.49 -40.63 73.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.318 -0.864 . . . . 0.0 109.927 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.77 -51.84 30.49 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.157 -0.965 . . . . 0.0 109.945 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.56 -38.58 75.03 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.133 -0.979 . . . . 0.0 109.057 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.95 -27.82 63.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.153 -0.967 . . . . 0.0 109.492 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -69.98 -33.17 71.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 110.048 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -74.66 -53.64 8.92 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.058 -1.027 . . . . 0.0 109.631 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.27 -26.04 62.48 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.022 -1.049 . . . . 0.0 108.897 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.44 -22.18 38.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.168 -0.958 . . . . 0.0 108.962 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.03 -2.26 20.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.22 -0.925 . . . . 0.0 109.895 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.68 150.85 22.16 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.08 160.06 29.66 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.21 -47.51 85.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 109.938 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.64 -39.1 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -72.36 -29.13 63.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.62 -37.17 82.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.029 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 7.8 mtpm? -69.83 -32.94 71.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.074 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 9.9 mtpm? -70.09 -28.38 65.37 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.056 -1.028 . . . . 0.0 109.175 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -70.66 -39.35 73.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.997 -1.064 . . . . 0.0 109.379 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -65.7 -50.02 66.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.096 -1.002 . . . . 0.0 109.483 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.5 ttm -65.57 -34.66 78.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.862 . . . . 0.0 109.963 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -69.19 -31.01 69.33 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.178 -0.951 . . . . 0.0 109.41 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.05 -32.24 64.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.082 -1.011 . . . . 0.0 109.264 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 30' ' ' TYR . 96.7 mt-10 -70.73 -30.55 67.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.874 . . . . 0.0 109.752 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -74.41 35.98 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 109.619 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 28' ' ' GLU . 25.2 t80 -71.84 120.11 78.16 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 108.517 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -61.92 166.67 11.82 Favored 'Trans proline' 0 CA--C 1.551 1.352 0 CA-C-N 119.912 1.004 . . . . 0.0 109.796 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -64.15 136.32 51.34 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 121.211 1.274 . . . . 0.0 109.595 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -111.83 -12.27 13.83 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 50.42 39.98 21.91 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.216 -0.928 . . . . 0.0 109.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.3 45.96 0.03 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -167.84 151.33 6.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -1.151 . . . . 0.0 109.171 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.3 mp -84.32 113.85 51.09 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.31 141.0 85.95 Favored 'Trans proline' 0 C--O 1.214 -0.688 0 CA-C-N 120.145 1.088 . . . . 0.0 109.378 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -80.35 118.74 73.84 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -55.46 140.67 82.95 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 119.811 0.968 . . . . 0.0 109.821 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.54 -44.95 89.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.009 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -25.04 53.85 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.55 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.8 -52.51 11.23 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.407 . . . . 0.0 110.363 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -34.27 77.72 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.864 -1.147 . . . . 0.0 109.967 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.48 -40.37 77.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.778 -1.201 . . . . 0.0 109.443 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.35 -16.23 46.88 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.833 -1.167 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.35 129.42 39.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.006 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 16.8 m-20 -80.36 165.4 22.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.257 -0.902 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.659 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 10.2 p-80 -56.89 -31.96 65.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.181 -0.95 . . . . 0.0 110.442 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.22 -53.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.093 -1.004 . . . . 0.0 110.332 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 2.6 p30 -69.44 -34.35 74.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.989 -1.07 . . . . 0.0 109.769 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 11.7 tp -55.01 -51.23 66.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.906 -1.121 . . . . 0.0 109.625 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -29.08 70.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.177 -0.952 . . . . 0.0 109.965 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.6 m -75.51 -37.23 60.26 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.861 . . . . 0.0 110.646 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.17 -34.19 68.28 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.883 -1.136 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.6 ttt -65.38 -42.5 92.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.224 -0.923 . . . . 0.0 110.278 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.41 -40.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.464 0 O-C-N 120.682 -1.261 . . . . 0.0 110.481 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.72 -51.2 13.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.024 . . . . 0.0 111.481 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.55 -41.27 55.3 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.965 -1.085 . . . . 0.0 111.914 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -92.63 -27.31 17.39 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.687 -1.258 . . . . 0.0 109.659 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.24 142.89 8.45 Favored Glycine 0 N--CA 1.505 3.275 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.92 -40.38 97.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 0.0 109.256 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.43 -52.8 16.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.151 -0.968 . . . . 0.0 109.903 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -62.88 -38.33 90.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 109.877 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.52 -53.24 57.05 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.964 -1.085 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -53.95 -40.13 66.54 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.021 -1.049 . . . . 0.0 109.447 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.85 83.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.9 mmm -75.93 -32.43 59.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.087 -1.008 . . . . 0.0 109.035 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -69.16 -43.46 74.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.87 . . . . 0.0 110.401 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.6 m -75.65 -43.67 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.044 -1.035 . . . . 0.0 110.546 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -66.02 -32.76 74.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.944 -1.097 . . . . 0.0 109.956 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mm -72.48 -34.12 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 120.654 -1.279 . . . . 0.0 108.688 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.35 -47.51 81.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.805 -1.184 . . . . 0.0 109.793 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.96 68.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.937 -1.102 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -67.26 -40.9 86.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 0.0 110.423 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.67 5.25 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.015 -1.053 . . . . 0.0 109.012 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.477 ' CG ' HH22 ' A' ' 79' ' ' ARG . 4.2 t30 62.87 47.71 4.35 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.557 -0.714 . . . . 0.0 109.66 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 78' ' ' ARG . 15.9 mtt-85 -135.1 50.89 2.12 Favored 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.477 HH22 ' CG ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -54.4 -28.82 46.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.241 -0.912 . . . . 0.0 110.51 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.19 -46.53 72.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -26.63 68.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.623 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.09 -34.43 71.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.694 -1.254 . . . . 0.0 108.882 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.0 -41.42 98.03 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.2 -0.937 . . . . 0.0 108.758 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -74.8 -48.34 25.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.386 -0.821 . . . . 0.0 109.408 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.77 -33.64 56.5 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.278 -0.889 . . . . 0.0 109.428 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -67.74 -27.43 66.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -79.41 -29.92 42.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.898 -1.126 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -94.65 -4.18 48.11 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.225 -0.922 . . . . 0.0 109.799 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -54.87 109.32 1.51 Allowed Pre-proline 0 N--CA 1.503 2.216 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.514 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.27 157.15 59.28 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 N-CA-C 109.325 -1.067 . . . . 0.0 109.325 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.25 -179.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.16 138.2 58.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -69.91 142.75 52.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.334 -0.854 . . . . 0.0 109.233 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -68.29 -28.62 67.34 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -54.18 -42.49 69.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -67.84 -25.37 65.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.355 -0.841 . . . . 0.0 109.266 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -73.68 -46.3 47.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.333 -0.854 . . . . 0.0 110.043 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.04 -33.59 72.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.075 -1.016 . . . . 0.0 109.779 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.56 94.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.145 -0.972 . . . . 0.0 109.681 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.54 -32.94 74.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.91 -55.05 29.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.191 -0.943 . . . . 0.0 109.621 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.64 -26.2 61.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.978 -1.076 . . . . 0.0 108.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.34 -29.51 34.1 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.127 -0.983 . . . . 0.0 109.052 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -68.01 1.01 2.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.963 . . . . 0.0 109.725 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.2 158.77 15.94 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -65.37 162.59 17.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.388 -0.82 . . . . 0.0 109.884 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.07 -47.56 70.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 0.0 110.093 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.23 -40.0 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.953 -1.092 . . . . 0.0 109.155 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -63.28 -29.46 70.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.001 -1.062 . . . . 0.0 108.614 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.79 -31.33 71.89 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -65.38 -37.45 87.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.654 -0.654 . . . . 0.0 109.651 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -70.39 -28.13 64.85 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.072 -1.017 . . . . 0.0 109.617 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -67.84 -42.59 81.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.835 -1.166 . . . . 0.0 109.678 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -72.36 -47.8 46.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.049 -1.032 . . . . 0.0 109.613 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.75 -35.35 68.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 109.465 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -41.86 75.26 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.218 -0.927 . . . . 0.0 109.462 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.34 -31.71 62.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.179 -0.951 . . . . 0.0 108.817 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.88 -14.45 59.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.357 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -141.15 60.01 1.51 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.367 -0.833 . . . . 0.0 108.946 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -65.5 136.04 96.03 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -64.38 122.76 10.79 Favored 'Trans proline' 0 CA--C 1.559 1.758 0 N-CA-C 109.06 -1.169 . . . . 0.0 109.06 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -66.23 133.04 31.47 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 N-CA-C 109.258 -1.093 . . . . 0.0 109.258 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -95.64 -44.89 7.27 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.318 -0.864 . . . . 0.0 109.464 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -168.47 38.92 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.51 41.0 0.64 Allowed Glycine 0 N--CA 1.507 3.391 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.15 151.12 45.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -1.213 . . . . 0.0 109.287 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.63 110.84 49.66 Favored Pre-proline 0 N--CA 1.504 2.252 0 CA-C-O 118.32 -0.848 . . . . 0.0 108.724 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -67.85 137.65 42.25 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 CA-C-N 120.099 1.071 . . . . 0.0 109.519 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -75.56 125.13 88.98 Favored Pre-proline 0 N--CA 1.494 1.774 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -51.55 134.82 47.18 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 120.061 1.057 . . . . 0.0 109.888 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.453 HH11 ' CG ' ' A' ' 41' ' ' ARG . 8.4 mtt-85 -63.97 -32.0 73.39 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.988 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.75 94.78 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.305 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.72 -51.82 11.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.719 -1.46 . . . . 0.0 109.893 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.0 m -56.89 -46.5 81.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.295 -0.878 . . . . 0.0 110.474 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.33 -43.66 73.27 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.583 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -73.62 -17.29 61.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.973 -1.079 . . . . 0.0 109.665 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.42 133.52 55.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -80.32 168.07 19.48 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 109.084 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -53.22 -49.51 66.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 109.824 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.38 -46.25 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.029 -1.045 . . . . 0.0 108.743 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.11 -34.76 73.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.0 109.462 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -52.04 64.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.108 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.64 70.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.075 -1.016 . . . . 0.0 109.709 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.3 m -72.7 -33.1 66.26 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.151 -0.968 . . . . 0.0 110.261 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.19 -34.03 70.51 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.83 -1.169 . . . . 0.0 108.718 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.5 mtp -67.15 -40.53 86.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.389 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.5 -41.27 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.07 -1.019 . . . . 0.0 110.411 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.67 -41.23 46.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.671 -1.268 . . . . 0.0 111.416 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.83 -41.75 67.81 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.047 -1.033 . . . . 0.0 112.295 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -107.38 -27.54 10.4 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.999 -1.063 . . . . 0.0 111.184 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.07 167.93 22.24 Favored Glycine 0 N--CA 1.507 3.429 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -71.04 -35.74 72.08 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.081 -1.247 . . . . 0.0 110.623 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -71.69 -53.08 14.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -67.18 -38.52 85.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.099 -1.001 . . . . 0.0 109.788 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.72 -49.01 69.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.931 -1.106 . . . . 0.0 110.061 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -58.86 -47.8 83.61 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.079 -1.013 . . . . 0.0 109.044 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.31 -36.54 66.31 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 109.724 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 36.6 mmm -76.21 -33.95 59.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.314 -0.866 . . . . 0.0 109.134 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.412 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.4 -37.94 83.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.013 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.97 -55.16 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.182 -0.948 . . . . 0.0 110.398 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.8 -29.75 55.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 110.819 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 72' ' ' ILE . 43.7 mt -72.77 -41.94 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.346 0 O-C-N 120.605 -1.309 . . . . 0.0 109.912 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 6.6 m-85 -57.37 -47.13 82.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.269 -1.519 . . . . 0.0 109.719 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.93 -28.21 67.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.619 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.37 78.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.092 -1.005 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.4 pt -85.96 18.94 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 t30 58.88 77.97 0.28 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.58 -0.7 . . . . 0.0 110.604 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -154.01 36.04 0.44 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -48.05 -29.22 3.35 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.469 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.16 -29.2 63.44 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.966 -1.084 . . . . 0.0 109.324 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -72.11 -26.23 62.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -71.96 -34.74 69.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.722 -1.236 . . . . 0.0 108.573 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -66.42 -44.33 83.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.958 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.91 -36.8 62.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.124 -0.985 . . . . 0.0 109.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.25 69.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.37 -27.63 64.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.03 -30.48 28.05 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.838 -1.164 . . . . 0.0 110.17 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.92 -2.93 55.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.129 -0.982 . . . . 0.0 109.475 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.8 pt-20 -56.03 122.72 49.46 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.218 -0.926 . . . . 0.0 109.113 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.2 153.35 70.35 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 N-CA-C 109.482 -1.007 . . . . 0.0 109.482 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.311 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.41 97.26 0.69 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.33 -0.856 . . . . 0.0 109.349 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.4 t -73.98 144.45 45.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -69.44 -14.24 62.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.306 -0.871 . . . . 0.0 109.022 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.41 -47.73 80.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.235 -0.916 . . . . 0.0 109.746 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 3' ' ' SER . 17.5 p -70.69 -30.9 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.003 . . . . 0.0 109.684 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.56 -46.34 69.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 110.022 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.35 -37.39 80.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.151 -0.968 . . . . 0.0 109.521 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.62 74.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 10' ' ' ARG . 3.7 ttt-85 -59.18 -33.55 71.08 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.474 -0.766 . . . . 0.0 109.62 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.56 -53.8 7.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.063 -1.023 . . . . 0.0 110.21 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -63.73 -26.47 68.66 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.032 -1.043 . . . . 0.0 109.276 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -81.12 -26.78 35.9 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.341 -0.85 . . . . 0.0 109.09 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.13 -2.72 25.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -87.19 161.23 18.17 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.72 -1.238 . . . . 0.0 109.441 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -70.32 161.35 30.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.473 -0.767 . . . . 0.0 109.83 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.44 -47.38 85.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.111 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.14 -38.61 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.475 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 35.8 t0 -72.7 -29.43 63.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.877 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.05 -36.28 79.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.979 -1.076 . . . . 0.0 108.688 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -72.42 -42.31 65.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -62.98 -48.83 77.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.286 -0.883 . . . . 0.0 109.24 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.04 -38.01 72.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.336 -0.852 . . . . 0.0 109.379 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.07 -41.41 67.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.514 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.59 -42.22 87.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 0.0 110.085 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -70.21 -31.31 68.69 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.993 -1.067 . . . . 0.0 109.702 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.28 -52.35 19.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.994 -1.066 . . . . 0.0 110.013 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' CD ' HH12 ' A' ' 41' ' ' ARG . 2.4 pp20? -67.53 -34.04 76.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.922 -1.111 . . . . 0.0 109.61 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 24.8 t0 -74.5 12.56 0.76 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.405 ' H ' ' C ' ' A' ' 28' ' ' GLU . 73.1 t80 -59.97 118.93 36.93 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 108.557 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -69.98 145.89 57.2 Favored 'Trans proline' 0 CA--C 1.555 1.551 0 N-CA-C 109.198 -1.116 . . . . 0.0 109.198 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.63 152.41 81.81 Favored 'Trans proline' 0 N--CA 1.48 0.691 0 N-CA-C 109.141 -1.138 . . . . 0.0 109.141 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -111.59 -44.51 3.49 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.03 74.11 0.29 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 109.444 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.21 8.02 87.58 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.3 150.65 25.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -1.172 . . . . 0.0 109.444 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 tt -99.75 107.48 46.33 Favored Pre-proline 0 N--CA 1.504 2.233 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.38 155.13 63.97 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 N-CA-C 109.561 -0.976 . . . . 0.0 109.561 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.64 120.14 78.2 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -52.86 133.94 52.93 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 119.891 0.997 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.477 HH12 ' CD ' ' A' ' 28' ' ' GLU . 23.6 ttm-85 -64.39 -35.49 81.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.389 -0.82 . . . . 0.0 109.855 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.99 -38.95 96.09 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.705 -1.236 . . . . 0.0 110.334 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -74.9 -49.28 20.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.853 -1.381 . . . . 0.0 109.87 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.8 m -64.79 -36.43 84.29 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.223 -0.923 . . . . 0.0 109.854 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -68.29 -42.86 78.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.973 -1.079 . . . . 0.0 108.982 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.85 -15.93 57.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 109.2 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.27 128.19 35.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.32 171.42 15.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.213 -0.929 . . . . 0.0 108.897 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -54.74 -42.83 72.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.043 -1.036 . . . . 0.0 109.808 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.9 t -69.69 -52.48 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.013 -1.055 . . . . 0.0 108.827 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -56.89 -38.26 72.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.02 -46.13 71.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 0.0 109.436 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.57 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.193 -0.942 . . . . 0.0 109.632 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -71.58 -38.97 70.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.181 -0.949 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.46 -35.9 71.03 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.733 -1.229 . . . . 0.0 109.213 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.1 mtp -71.47 -43.24 66.98 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.009 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.6 mt -77.67 -38.78 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 120.79 -1.194 . . . . 0.0 110.143 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.97 -48.59 17.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 111.673 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.39 -41.63 17.94 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.906 -1.121 . . . . 0.0 112.571 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -92.68 -27.45 17.26 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.576 -1.328 . . . . 0.0 110.158 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.53 161.59 29.1 Favored Glycine 0 N--CA 1.502 3.076 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.72 -34.2 71.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -1.023 . . . . 0.0 110.323 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.28 -52.79 20.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.093 -1.004 . . . . 0.0 110.536 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.26 -40.05 64.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.933 -1.104 . . . . 0.0 110.247 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.6 67.36 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.854 -1.153 . . . . 0.0 110.005 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -64.38 -46.7 82.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.03 -1.044 . . . . 0.0 108.636 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.9 -41.63 64.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.138 -0.977 . . . . 0.0 109.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.9 tpp -70.85 -32.55 69.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.136 -0.977 . . . . 0.0 109.249 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.54 -34.44 77.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 0.0 110.27 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.01 -55.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.058 -1.026 . . . . 0.0 110.577 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -55.23 -30.0 59.14 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 110.933 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.1 mt -73.2 -40.7 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 120.543 -1.348 . . . . 0.0 109.965 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 10.3 m-85 -56.76 -46.91 81.13 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.231 -1.543 . . . . 0.0 109.689 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -27.91 63.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.84 63.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 110.348 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.2 pt -85.9 19.32 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.996 -1.065 . . . . 0.0 109.683 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.56 81.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.545 -0.722 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 90.0 mtt180 -156.62 35.99 0.31 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -47.43 -28.84 2.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.553 -0.717 . . . . 0.0 110.549 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -57.0 -32.45 66.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -69.21 -26.23 64.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.394 -0.816 . . . . 0.0 109.642 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.28 -34.11 65.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.803 -1.186 . . . . 0.0 108.696 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.58 -43.5 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -75.83 -35.9 59.83 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.914 -1.116 . . . . 0.0 109.888 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.07 70.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 110.386 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -65.84 -28.31 68.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.93 -1.106 . . . . 0.0 108.983 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -73.86 -27.67 61.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.125 -0.984 . . . . 0.0 109.917 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -97.22 -9.34 27.93 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.19 -0.944 . . . . 0.0 110.05 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.32 109.89 1.89 Allowed Pre-proline 0 N--CA 1.504 2.247 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.531 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.35 159.31 48.02 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 109.174 -1.125 . . . . 0.0 109.174 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.5 tttm . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.7 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.96 97.48 0.23 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 0.0 109.49 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -69.88 160.97 30.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.237 -0.914 . . . . 0.0 109.201 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -68.73 -38.29 80.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.122 -0.986 . . . . 0.0 108.837 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.76 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -59.34 -32.89 70.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 109.211 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.76 -47.17 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.703 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.6 -33.09 74.84 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.003 -1.06 . . . . 0.0 109.656 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.15 95.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.165 -0.96 . . . . 0.0 110.082 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.66 -32.98 71.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.141 -0.974 . . . . 0.0 109.684 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.37 -46.67 63.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.214 -0.929 . . . . 0.0 109.463 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.38 -26.06 62.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 109.095 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.43 -28.01 34.44 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.187 -0.945 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -61.91 -13.74 27.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.908 -1.12 . . . . 0.0 109.913 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.18 -178.46 3.91 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.64 160.21 15.5 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.17 -47.63 82.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.64 -39.74 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.091 -1.005 . . . . 0.0 109.35 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.82 -29.04 68.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.072 -1.017 . . . . 0.0 108.838 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.93 -31.58 72.88 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -74.64 -43.47 55.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.285 -0.885 . . . . 0.0 110.834 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 28.2 mtmm -67.23 -28.07 67.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.863 -1.148 . . . . 0.0 109.852 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.81 -47.07 61.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.867 -1.146 . . . . 0.0 109.744 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -68.05 -40.62 82.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.973 -1.079 . . . . 0.0 109.537 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.06 -33.93 65.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 109.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -66.92 -47.25 72.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.89 -31.05 62.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.46 -14.54 57.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.0 109.322 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -152.57 55.82 0.8 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.025 -1.047 . . . . 0.0 109.644 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -76.24 136.51 68.85 Favored Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -63.97 145.46 90.01 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 N-CA-C 109.251 -1.096 . . . . 0.0 109.251 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.04 147.37 88.83 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 N-CA-C 109.21 -1.111 . . . . 0.0 109.21 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -111.44 -44.69 3.49 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.627 -0.671 . . . . 0.0 109.19 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -162.83 55.42 0.2 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.376 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.87 18.25 60.06 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -58.79 150.81 22.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -1.073 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.6 mt -89.95 112.6 53.18 Favored Pre-proline 0 N--CA 1.503 2.185 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -63.53 138.37 64.65 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 CA-C-N 120.057 1.056 . . . . 0.0 109.434 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.62 120.19 78.46 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -54.3 133.87 58.1 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-N 119.933 1.012 . . . . 0.0 109.873 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -63.48 -31.86 73.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.366 -0.834 . . . . 0.0 109.498 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 -38.9 93.48 Favored Glycine 0 N--CA 1.504 3.207 0 C-N-CA 119.589 -1.291 . . . . 0.0 109.878 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -75.78 -33.29 60.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.833 -1.392 . . . . 0.0 109.654 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 m -75.17 -48.51 23.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.299 -0.876 . . . . 0.0 110.624 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.0 -41.85 83.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.782 -1.199 . . . . 0.0 109.503 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.51 -17.07 61.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.994 -1.066 . . . . 0.0 109.526 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.5 29.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.989 . . . . 0.0 109.689 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.49 170.35 16.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.324 -0.86 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -50.36 -47.53 56.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.196 -0.94 . . . . 0.0 110.833 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.24 -37.37 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 120.965 -1.084 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -71.63 -38.23 70.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.203 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -55.87 -51.19 68.42 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.793 -1.192 . . . . 0.0 109.211 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.78 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.143 -0.973 . . . . 0.0 109.555 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.0 m -72.13 -33.64 67.95 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.283 -0.886 . . . . 0.0 110.227 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.2 -34.11 68.14 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.0 -1.062 . . . . 0.0 109.237 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mtp -65.87 -43.17 89.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.266 -0.896 . . . . 0.0 110.113 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.8 pt -79.24 -40.21 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 O-C-N 120.868 -1.145 . . . . 0.0 110.59 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.0 -42.46 48.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.026 -1.046 . . . . 0.0 111.339 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -77.63 -42.46 34.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.853 -1.154 . . . . 0.0 111.891 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -97.91 -27.05 14.45 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.885 -1.134 . . . . 0.0 110.114 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.49 156.58 10.24 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.84 -44.12 81.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.272 -1.134 . . . . 0.0 109.549 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 21.3 mp0 -71.59 -47.52 54.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.167 -0.958 . . . . 0.0 110.135 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -59.79 -38.07 80.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.034 . . . . 0.0 109.998 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.93 99.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.025 -1.047 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -60.14 -36.1 76.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.923 -1.111 . . . . 0.0 109.611 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.03 82.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.988 -1.07 . . . . 0.0 110.112 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 79.8 mtp -76.11 -32.18 59.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.055 -1.028 . . . . 0.0 108.993 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.64 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.495 -0.753 . . . . 0.0 110.523 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.2 m -75.66 -39.75 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.035 -1.04 . . . . 0.0 110.514 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -67.72 -30.13 69.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.01 -1.056 . . . . 0.0 110.349 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.1 mt -73.03 -41.41 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.704 -1.248 . . . . 0.0 109.644 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -56.9 -46.98 81.56 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.375 -1.453 . . . . 0.0 109.701 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.96 68.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.921 -1.112 . . . . 0.0 109.675 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -67.86 -46.78 70.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.159 -0.963 . . . . 0.0 110.428 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 pt -79.11 19.76 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.056 -1.027 . . . . 0.0 109.774 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 75' ' ' ALA . 20.8 m120 57.9 65.32 1.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.68 -0.638 . . . . 0.0 110.431 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -138.58 47.28 1.97 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.633 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' NH1' ' CG ' ' A' ' 79' ' ' ARG . 2.1 mmt-85 -46.66 -28.54 1.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.658 -0.651 . . . . 0.0 110.952 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 78' ' ' ARG . 13.5 p-10 -53.37 -35.03 59.85 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.932 -1.105 . . . . 0.0 109.899 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.02 -26.12 62.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.156 -0.965 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -68.01 -34.43 76.49 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.798 -1.189 . . . . 0.0 109.572 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.17 -45.63 55.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.081 -1.012 . . . . 0.0 110.088 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -74.73 -52.06 12.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.052 -1.03 . . . . 0.0 110.177 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.66 -42.17 67.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.01 -27.66 63.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.957 . . . . 0.0 109.734 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -88.14 -27.21 22.04 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.897 -1.127 . . . . 0.0 110.501 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -96.19 -2.62 45.9 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.197 -0.939 . . . . 0.0 110.132 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.56 122.92 48.0 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 120.912 -1.117 . . . . 0.0 109.051 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -63.78 148.34 92.04 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.7 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.5 111.09 0.9 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.238 -0.913 . . . . 0.0 109.427 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -69.83 144.52 52.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.297 -0.877 . . . . 0.0 109.157 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -34.2 73.47 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.22 -0.925 . . . . 0.0 108.821 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' CG ' HH11 ' A' ' 5' ' ' ARG . 8.5 mtt-85 -55.59 -39.68 71.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.604 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.06 -27.26 67.96 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.317 -0.864 . . . . 0.0 109.445 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' HZ2' HH11 ' A' ' 10' ' ' ARG . 8.9 mmpt? -70.81 -52.09 22.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -54.88 -33.34 61.85 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.07 72.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -0.978 . . . . 0.0 109.364 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.598 HH11 ' HZ2' ' A' ' 7' ' ' LYS . 55.5 mtp180 -74.44 -33.33 62.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 109.993 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -75.51 -54.38 7.1 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.002 -1.061 . . . . 0.0 110.234 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.18 -26.29 64.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 108.919 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -81.78 -28.1 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.125 -0.985 . . . . 0.0 109.358 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.84 -1.61 4.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.003 -1.061 . . . . 0.0 109.839 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.35 156.11 17.17 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.247 -0.908 . . . . 0.0 109.335 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.42 159.28 27.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.334 -0.854 . . . . 0.0 109.55 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -47.39 82.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 109.848 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -59.58 -39.5 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.018 -1.051 . . . . 0.0 109.41 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' NH2' ' A' ' 78' ' ' ARG . 7.1 t70 -66.15 -29.5 69.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.068 -1.02 . . . . 0.0 109.116 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.02 -39.48 94.2 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.224 -0.923 . . . . 0.0 108.726 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -61.16 -40.36 93.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 0.0 109.679 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.1 -30.88 71.32 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.34 -42.57 87.94 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.883 -1.135 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.35 -49.09 45.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.009 -1.057 . . . . 0.0 108.592 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 ttt -55.79 -33.85 64.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.77 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -64.02 -43.88 94.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.215 -0.928 . . . . 0.0 109.354 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -74.19 -31.95 62.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.024 -1.048 . . . . 0.0 109.255 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.43 -35.28 80.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 109.511 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -99.03 27.89 4.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.369 -0.832 . . . . 0.0 109.265 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -61.09 125.78 84.53 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 108.628 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -64.42 133.88 39.28 Favored 'Trans proline' 0 CA--C 1.559 1.74 0 N-CA-C 109.005 -1.19 . . . . 0.0 109.005 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -66.03 138.07 50.89 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -110.22 18.65 19.72 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.562 -0.711 . . . . 0.0 109.19 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 54.77 56.68 6.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.333 -0.855 . . . . 0.0 109.526 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.63 -46.29 0.3 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.17 151.03 47.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -1.093 . . . . 0.0 109.283 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.32 108.92 50.15 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.42 137.78 62.09 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 N-CA-C 109.418 -1.031 . . . . 0.0 109.418 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.86 119.8 78.56 Favored Pre-proline 0 N--CA 1.496 1.83 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.53 150.64 41.95 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 CA-C-N 119.896 0.998 . . . . 0.0 109.703 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -64.46 -43.37 94.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 0.0 109.77 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.57 -25.91 22.32 Favored Glycine 0 N--CA 1.505 3.281 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.312 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -75.1 -39.69 60.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.892 -1.358 . . . . 0.0 109.671 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -69.62 -38.51 77.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.183 -0.948 . . . . 0.0 110.042 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.68 -41.94 99.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 109.685 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -80.68 -13.32 59.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.728 -1.232 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.98 110.01 6.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.261 -0.899 . . . . 0.0 109.81 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.35 170.66 16.09 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.637 ' HD1' ' H ' ' A' ' 49' ' ' HIS . 2.3 p-80 -49.49 -41.32 40.31 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.012 -1.055 . . . . 0.0 110.339 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.32 -51.1 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.123 -0.986 . . . . 0.0 109.2 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -59.5 -35.8 74.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.642 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.18 -52.51 63.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -28.82 69.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.017 -1.052 . . . . 0.0 109.865 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.5 m -74.19 -34.74 63.85 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.176 -0.953 . . . . 0.0 110.355 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.38 -34.55 70.52 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.893 -1.129 . . . . 0.0 109.077 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.9 mmm -69.39 -41.64 76.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.38 -40.76 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.863 -1.148 . . . . 0.0 110.289 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.34 -47.8 19.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.794 -1.191 . . . . 0.0 111.856 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -76.56 -42.35 43.11 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.879 -1.138 . . . . 0.0 112.617 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -97.13 -27.97 14.33 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.655 -1.278 . . . . 0.0 110.625 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.19 165.8 23.89 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -70.82 -41.84 71.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.524 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -70.54 -44.55 67.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.895 -1.128 . . . . 0.0 111.042 -178.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 20.3 tptp -72.94 -37.86 66.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.78 -1.2 . . . . 0.0 109.826 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.71 73.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.061 -1.024 . . . . 0.0 109.863 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -63.51 -43.25 97.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 108.711 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.16 81.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.0 109.754 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.7 mtp -76.07 -32.62 59.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.258 -0.901 . . . . 0.0 109.545 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -68.5 -42.92 77.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 110.139 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -75.67 -48.92 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.198 -0.939 . . . . 0.0 110.19 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -59.17 -29.57 67.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.0 110.646 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.0 mt -72.05 -42.78 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 O-C-N 120.53 -1.356 . . . . 0.0 109.625 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 3.9 m-85 -56.35 -46.69 79.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.336 -1.477 . . . . 0.0 109.891 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.9 -27.95 67.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.908 -1.12 . . . . 0.0 109.655 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.186 -0.946 . . . . 0.0 110.283 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 pt -86.58 20.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.092 -1.005 . . . . 0.0 109.019 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 55.84 82.94 0.1 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.537 0.684 . . . . 0.0 110.574 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH2' ' OD2' ' A' ' 19' ' ' ASP . 53.0 mtt-85 -152.05 30.85 0.56 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' N ' ' CD ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -47.63 -28.53 2.4 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.519 . . . . 0.0 111.423 -179.309 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.08 -53.53 48.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.881 -1.137 . . . . 0.0 110.404 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -26.38 62.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.067 -1.021 . . . . 0.0 109.636 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -67.44 -36.25 80.82 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.688 -1.257 . . . . 0.0 107.997 179.346 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -60.45 -40.66 91.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 108.924 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.31 -47.25 35.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.337 -0.852 . . . . 0.0 109.329 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 88' ' ' ASP . . . -56.83 -28.61 61.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.965 . . . . 0.0 109.471 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -66.39 -27.15 67.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.016 -1.052 . . . . 0.0 109.398 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -80.5 -27.37 37.75 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 110.646 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -78.41 -3.03 41.24 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.798 -1.189 . . . . 0.0 109.393 -179.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.23 116.48 16.17 Favored Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.79 143.22 99.66 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 N-CA-C 109.394 -1.041 . . . . 0.0 109.394 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.405 179.745 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.5 146.39 50.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.565 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -69.96 133.7 47.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.102 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -69.97 -32.62 70.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -55.82 -37.82 69.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.325 -0.859 . . . . 0.0 109.308 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 t -65.74 -30.81 71.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.363 -0.836 . . . . 0.0 109.135 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -73.77 -51.89 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.426 -0.796 . . . . 0.0 110.025 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.22 -36.14 81.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.75 -1.219 . . . . 0.0 109.424 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.66 83.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.103 -0.998 . . . . 0.0 108.76 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.23 -33.68 67.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.094 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 27.9 m-85 -77.33 -55.75 5.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.209 -0.932 . . . . 0.0 110.482 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.73 -26.2 68.57 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.032 -1.043 . . . . 0.0 109.215 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -81.35 -24.52 37.03 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.488 -0.757 . . . . 0.0 109.959 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.61 -3.75 56.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.938 -1.101 . . . . 0.0 110.594 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.09 165.42 16.63 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.488 -1.383 . . . . 0.0 109.272 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -65.43 149.62 49.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.433 -0.792 . . . . 0.0 109.67 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -57.2 -45.52 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.05 -33.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 108.988 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.33 -29.2 62.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.964 -1.085 . . . . 0.0 108.943 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.27 -43.39 98.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.334 -0.853 . . . . 0.0 109.087 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -67.11 -34.06 76.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.0 109.779 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.95 -27.77 66.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 0.0 109.221 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -71.09 -42.69 69.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.998 -1.064 . . . . 0.0 110.101 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.32 -46.42 55.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.922 -1.111 . . . . 0.0 109.899 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ttt -56.63 -36.24 69.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.137 -0.977 . . . . 0.0 109.777 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -69.53 -40.5 76.84 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.164 -0.96 . . . . 0.0 109.536 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.29 -33.42 63.24 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.068 -1.02 . . . . 0.0 108.911 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.4 -35.23 80.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 0.0 109.666 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -99.58 36.86 1.69 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.242 -0.912 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -65.44 136.12 96.14 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.72 148.88 90.35 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -65.01 143.09 77.65 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -111.34 3.38 18.23 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.576 -0.702 . . . . 0.0 109.113 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt 53.97 66.44 1.23 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.675 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 -66.23 0.23 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -67.22 150.83 48.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.495 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -83.88 114.78 56.23 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.36 144.24 91.89 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 CA-C-N 120.127 1.081 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 9.3 mp -71.62 119.4 73.82 Favored Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.15 140.71 87.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.939 1.014 . . . . 0.0 109.669 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -64.26 -31.99 73.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.56 96.51 Favored Glycine 0 N--CA 1.504 3.217 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.131 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -75.96 -44.58 39.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.716 -1.461 . . . . 0.0 109.856 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.2 m -65.61 -47.95 73.95 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.28 -0.887 . . . . 0.0 110.983 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.0 -44.37 91.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.709 -1.245 . . . . 0.0 109.631 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -74.33 -18.44 60.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.884 -1.135 . . . . 0.0 109.748 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.05 119.5 10.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.027 -1.045 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.34 179.68 7.56 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -54.02 -45.11 71.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 110.309 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.23 -48.98 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.988 -1.07 . . . . 0.0 109.378 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -37.42 85.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 110.281 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.8 mt -55.92 -51.15 68.64 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.856 -1.153 . . . . 0.0 109.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -28.7 69.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.537 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 m -70.45 -37.44 74.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.305 -0.872 . . . . 0.0 110.37 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.18 -35.22 68.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.009 -1.057 . . . . 0.0 109.371 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.8 tpp -64.44 -42.13 96.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.231 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.45 -37.6 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.963 -1.085 . . . . 0.0 110.63 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -75.67 -51.63 12.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.82 -1.175 . . . . 0.0 111.501 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.25 -42.61 59.41 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.734 -1.229 . . . . 0.0 111.964 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.48 -27.95 15.72 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.514 -1.366 . . . . 0.0 110.548 -178.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.85 155.14 11.42 Favored Glycine 0 N--CA 1.506 3.309 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -69.12 -40.1 78.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -1.171 . . . . 0.0 109.594 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 23.9 mp0 -71.52 -46.77 58.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.176 -0.952 . . . . 0.0 110.178 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.24 -37.66 81.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.031 -1.043 . . . . 0.0 109.317 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.51 68.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.965 -1.085 . . . . 0.0 109.622 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' CD1' ' A' ' 66' ' ' TRP . 36.4 m0 -61.36 -35.11 76.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 0.0 109.237 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.49 81.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.295 -0.878 . . . . 0.0 109.573 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 43.9 mmm -76.12 -32.37 59.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.142 -0.974 . . . . 0.0 108.672 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -67.13 -44.24 80.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.418 -0.801 . . . . 0.0 110.619 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.9 -39.34 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 120.985 -1.072 . . . . 0.0 110.414 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -65.29 -30.1 70.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.048 . . . . 0.0 110.067 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 mm -72.82 -38.34 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 120.725 -1.234 . . . . 0.0 109.217 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 4.5 m-30 -56.93 -47.15 81.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.539 -1.35 . . . . 0.0 109.955 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.96 68.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.93 -1.106 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -66.69 -46.82 74.37 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.193 -0.942 . . . . 0.0 110.471 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.53 19.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.052 -1.03 . . . . 0.0 108.743 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' A' ' 75' ' ' ALA . 1.9 m120 55.44 66.98 1.08 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 78' ' ' ARG . 24.9 mtt-85 -142.83 39.96 1.51 Allowed 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -47.64 -29.09 2.7 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.48 -34.09 70.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.911 -1.118 . . . . 0.0 109.295 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.69 -26.11 66.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 109.711 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.64 -37.76 67.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.763 -1.211 . . . . 0.0 108.954 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.06 -47.49 84.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.097 -1.002 . . . . 0.0 109.546 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -75.14 -49.06 20.75 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.089 -1.007 . . . . 0.0 109.963 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.14 65.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 0.0 110.323 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -54.95 -27.46 43.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.345 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -84.74 -15.46 45.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.797 -1.189 . . . . 0.0 110.786 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 t70 -95.32 -12.72 25.63 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.964 -1.085 . . . . 0.0 110.634 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -59.5 116.13 15.22 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 108.355 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.1 143.84 95.22 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 N-CA-C 109.317 -1.07 . . . . 0.0 109.317 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.389 179.888 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' H3 ' ' H ' ' A' ' 2' ' ' ALA . 12.7 ttt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.478 0.656 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' H ' ' H3 ' ' A' ' 1' ' ' MET . . . -54.62 122.7 11.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.146 -0.971 . . . . 0.0 109.82 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -70.04 144.8 52.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.488 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -70.63 -16.19 62.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.25 -51.08 71.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.381 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.18 -26.07 67.23 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -69.95 -48.85 56.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 110.031 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -60.85 -40.94 94.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.993 -1.067 . . . . 0.0 109.607 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.89 79.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 108.659 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -57.92 -33.53 68.88 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.454 -0.779 . . . . 0.0 109.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.74 -54.61 6.16 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.007 -1.058 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.75 -26.9 68.93 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.884 -1.135 . . . . 0.0 108.964 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -81.69 -24.54 36.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -79.36 -3.48 46.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.037 -1.04 . . . . 0.0 110.511 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 157.12 20.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.572 -1.33 . . . . 0.0 109.34 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 9.2 mp0 -67.62 156.91 35.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.485 -0.76 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.77 -40.07 82.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.07 -40.52 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.066 -1.021 . . . . 0.0 109.679 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -72.96 -29.36 63.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.029 -1.044 . . . . 0.0 109.506 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.01 -36.75 77.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.144 -0.972 . . . . 0.0 109.335 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.31 -39.22 59.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.163 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.0 -28.3 66.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.077 -1.014 . . . . 0.0 109.431 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.38 -47.85 38.76 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -70.2 -45.79 65.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.893 -1.129 . . . . 0.0 109.113 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.3 ttt -52.56 -33.76 47.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.882 . . . . 0.0 109.604 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.431 ' HD1' ' C ' ' A' ' 26' ' ' HIS . 2.6 t-80 -66.9 -42.47 85.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.364 -0.835 . . . . 0.0 109.207 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.91 -32.01 63.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.062 -1.024 . . . . 0.0 109.607 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.39 -14.21 60.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.033 . . . . 0.0 109.966 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.55 48.36 1.64 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.279 -0.888 . . . . 0.0 109.89 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 78.0 t80 -76.58 119.57 77.94 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.0 108.431 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 5.6 Cg_endo -65.41 162.42 33.79 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 CA-C-N 119.946 1.016 . . . . 0.0 109.46 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -66.93 133.31 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.13 1.22 . . . . 0.0 109.467 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -111.65 -45.69 3.34 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.525 -0.734 . . . . 0.0 109.131 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 6.3 ttpm? -171.84 79.35 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.351 -0.843 . . . . 0.0 109.538 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.52 20.82 64.04 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.1 p -69.51 137.22 52.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.126 -1.22 . . . . 0.0 109.263 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.1 tt -82.62 121.99 78.31 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.934 -1.104 . . . . 0.0 108.817 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -68.07 140.59 50.17 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 119.778 0.956 . . . . 0.0 109.692 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.04 120.19 80.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -53.0 143.86 48.07 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 119.951 1.018 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -64.74 -45.77 85.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.189 -0.944 . . . . 0.0 109.85 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.91 -24.74 65.08 Favored Glycine 0 N--CA 1.504 3.222 0 C-N-CA 119.651 -1.262 . . . . 0.0 109.99 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -72.92 -52.07 16.09 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.037 -1.273 . . . . 0.0 110.095 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.4 m -76.12 -51.23 12.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.058 -1.026 . . . . 0.0 110.847 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.29 -44.08 68.0 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.841 -1.162 . . . . 0.0 110.586 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.13 -9.84 59.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.582 -1.323 . . . . 0.0 109.521 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.18 128.09 33.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.22 171.31 15.24 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -51.81 -49.88 61.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.47 -49.06 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 120.9 -1.125 . . . . 0.0 108.969 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.14 -34.51 73.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.245 -0.909 . . . . 0.0 109.843 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.14 -51.18 65.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.897 -1.127 . . . . 0.0 109.037 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.75 68.97 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.164 -0.96 . . . . 0.0 110.103 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 m -76.9 -35.62 57.26 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.945 -1.097 . . . . 0.0 110.704 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.13 -34.06 68.27 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.814 -1.179 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.4 mtp -68.96 -42.17 77.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.402 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.7 -39.51 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.99 -39.98 48.42 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.892 -1.13 . . . . 0.0 111.486 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -81.95 -42.4 19.49 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.83 -1.169 . . . . 0.0 112.326 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.96 -27.14 15.81 Favored 'General case' 0 N--CA 1.51 2.542 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.82 169.19 28.57 Favored Glycine 0 N--CA 1.502 3.093 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -71.07 -35.6 71.94 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.404 -1.057 . . . . 0.0 110.867 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.72 -52.76 16.14 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.027 -1.046 . . . . 0.0 110.926 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -73.23 -38.79 65.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.864 -1.147 . . . . 0.0 110.916 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.46 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.866 -1.146 . . . . 0.0 110.971 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.48 -35.08 76.66 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.941 -1.1 . . . . 0.0 108.786 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.26 81.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.081 -1.012 . . . . 0.0 108.966 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.6 mmm -76.03 -42.57 47.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.371 -0.831 . . . . 0.0 109.113 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -56.63 -45.69 81.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.023 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.41 -45.28 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.154 -0.966 . . . . 0.0 110.238 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -60.98 -31.05 70.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.03 -1.044 . . . . 0.0 110.486 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.2 mt -72.87 -37.28 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.369 0 O-C-N 120.585 -1.322 . . . . 0.0 109.463 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-30 -56.85 -46.92 81.42 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.488 -1.382 . . . . 0.0 109.668 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.46 -27.98 67.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.97 -1.081 . . . . 0.0 109.868 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -65.33 -47.1 77.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.145 -0.972 . . . . 0.0 109.967 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.5 19.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.015 -1.053 . . . . 0.0 108.193 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 75' ' ' ALA . 13.3 t30 56.67 11.37 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.541 -0.724 . . . . 0.0 109.899 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.95 51.83 0.52 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.113 -0.992 . . . . 0.0 108.985 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -62.47 -29.22 70.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.23 -48.66 80.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.928 -1.107 . . . . 0.0 110.159 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.95 -25.91 61.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 110.05 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -74.41 -37.92 63.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.25 -43.88 92.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -74.89 -47.16 31.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.288 -0.883 . . . . 0.0 109.52 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.79 68.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.621 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.6 -27.3 67.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -82.41 -31.86 29.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.789 -1.194 . . . . 0.0 110.452 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -98.99 -10.05 23.18 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.14 -0.975 . . . . 0.0 110.462 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -76.66 124.46 87.76 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.747 -1.221 . . . . 0.0 108.282 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.35 140.82 90.23 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 N-CA-C 109.19 -1.119 . . . . 0.0 109.19 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt . . . . . 0 N--CA 1.503 2.208 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.077 179.741 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.39 97.26 0.19 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -72.7 143.94 47.87 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.352 -0.843 . . . . 0.0 109.199 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.0 m -64.47 -20.62 66.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.887 . . . . 0.0 109.162 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -68.57 -50.83 48.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.603 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -72.81 -33.89 66.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.23 -0.919 . . . . 0.0 109.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.88 -45.05 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.258 -0.901 . . . . 0.0 110.286 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -72.86 -37.16 67.46 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.947 -1.095 . . . . 0.0 109.338 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.18 89.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.988 -1.07 . . . . 0.0 108.946 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -63.14 -32.6 74.03 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.467 -0.771 . . . . 0.0 109.2 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -54.61 40.09 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 109.229 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.4 -25.21 59.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.101 -0.999 . . . . 0.0 108.99 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 15.5 mm-40 -80.75 -21.49 41.04 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.234 -0.916 . . . . 0.0 108.933 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -69.98 0.27 6.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.0 109.764 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 mt -89.6 167.32 13.04 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.04 -1.038 . . . . 0.0 109.371 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.46 152.63 40.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.305 -0.872 . . . . 0.0 109.943 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.0 -43.72 73.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.5 -32.12 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 108.803 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.42 -29.54 62.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.028 -1.045 . . . . 0.0 109.817 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.04 -38.06 89.66 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.944 -1.098 . . . . 0.0 108.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.64 -41.1 55.02 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.179 -0.951 . . . . 0.0 110.833 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 97.0 mttt -75.29 -31.02 60.57 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.886 -1.134 . . . . 0.0 110.533 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -69.88 -47.58 62.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.753 -1.217 . . . . 0.0 109.706 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -63.73 -48.12 78.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.016 -1.052 . . . . 0.0 109.949 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.398 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -62.03 -33.08 73.7 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.942 -1.099 . . . . 0.0 109.938 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.46 -32.32 71.29 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.929 -1.107 . . . . 0.0 109.973 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 28' ' ' GLU . 4.1 mp0 -82.91 -17.24 44.38 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.916 -1.115 . . . . 0.0 109.59 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.97 -16.75 63.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.656 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -76.38 119.25 76.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.801 -1.187 . . . . 0.0 109.628 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -65.66 166.71 19.17 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 108.836 -1.255 . . . . 0.0 108.836 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.48 132.9 54.63 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 N-CA-C 109.295 -1.079 . . . . 0.0 109.295 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -100.72 19.56 16.86 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 tttm 55.91 38.68 30.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.952 -1.093 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.8 48.5 0.02 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.8 t -165.62 151.32 9.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.342 -1.093 . . . . 0.0 109.17 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.21 96.48 35.19 Favored Pre-proline 0 N--CA 1.503 2.185 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -59.87 138.62 83.71 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 N-CA-C 109.582 -0.968 . . . . 0.0 109.582 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.4 mm? -74.08 119.11 74.64 Favored Pre-proline 0 N--CA 1.49 1.541 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.92 139.78 79.03 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 CA-C-N 119.945 1.016 . . . . 0.0 109.679 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -61.56 -50.47 72.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.213 -0.929 . . . . 0.0 109.698 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.42 -26.34 44.27 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -75.05 -40.0 60.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.29 . . . . 0.0 109.659 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -68.45 -44.29 75.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 0.0 109.907 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.28 -40.35 81.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.079 -1.013 . . . . 0.0 109.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -74.02 -17.66 60.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.825 -1.172 . . . . 0.0 109.314 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.89 132.82 38.11 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.189 -0.945 . . . . 0.0 109.525 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.35 173.69 12.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' OE2' ' A' ' 13' ' ' GLU . 32.7 m170 -58.29 -49.44 77.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.84 -46.12 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.054 -1.029 . . . . 0.0 108.497 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.47 -36.81 76.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.299 -0.876 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -51.43 63.33 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.086 . . . . 0.0 109.022 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.49 65.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 0.0 109.863 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.5 m -72.46 -40.09 67.26 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.011 -1.056 . . . . 0.0 110.99 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.81 -36.54 73.02 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.67 -1.269 . . . . 0.0 109.147 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 68.0 mmm -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.347 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -78.26 -35.6 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.936 -1.103 . . . . 0.0 110.348 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -76.78 -52.02 10.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.709 -1.244 . . . . 0.0 111.846 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.95 -42.26 63.59 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.69 -1.256 . . . . 0.0 112.222 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.85 -28.05 14.9 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.549 -1.344 . . . . 0.0 111.203 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 165.97 29.05 Favored Glycine 0 N--CA 1.505 3.265 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.97 -33.23 70.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -1.191 . . . . 0.0 110.601 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -72.1 -53.27 13.28 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.003 -1.061 . . . . 0.0 110.505 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HZ2' ' CG ' ' A' ' 68' ' ' MET . 26.3 tptp -71.45 -39.1 71.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.954 -1.091 . . . . 0.0 110.147 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.35 68.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.883 -1.135 . . . . 0.0 109.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -58.98 -45.91 89.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.34 75.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 109.837 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.412 ' CG ' ' HZ2' ' A' ' 64' ' ' LYS . 44.2 mmm -75.44 -32.63 60.74 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.162 -0.961 . . . . 0.0 109.106 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.48 -45.99 64.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.225 -0.922 . . . . 0.0 110.43 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 71' ' ' TRP . 17.3 m -75.85 -47.02 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 120.999 -1.063 . . . . 0.0 110.673 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.411 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 74.8 t90 -63.56 -29.4 70.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.034 -1.041 . . . . 0.0 110.239 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.25 -40.12 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.691 -1.256 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-85 -56.66 -46.56 80.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.451 -1.406 . . . . 0.0 109.763 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -27.71 58.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.849 -1.157 . . . . 0.0 109.495 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -70.82 -42.38 70.32 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 110.39 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' C ' ' H ' ' A' ' 78' ' ' ARG . 1.1 mt -73.26 19.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.977 -1.077 . . . . 0.0 109.353 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 75' ' ' ALA . 70.0 m-20 59.07 1.63 0.22 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 76' ' ' ILE . 38.4 mtt-85 -81.65 57.92 3.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.034 -1.041 . . . . 0.0 108.522 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -56.7 -29.44 62.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.413 -0.805 . . . . 0.0 110.3 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.3 -41.72 69.26 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.981 -1.075 . . . . 0.0 109.914 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -26.13 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.317 -0.864 . . . . 0.0 109.291 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -67.76 -33.54 75.05 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.678 -1.263 . . . . 0.0 109.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.04 -43.2 68.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.41 62.64 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.093 -1.004 . . . . 0.0 108.899 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.09 63.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.24 -0.912 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.37 -27.46 64.34 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.223 -0.923 . . . . 0.0 110.023 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -84.41 -28.19 27.07 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.861 -1.15 . . . . 0.0 110.484 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.2 -12.31 50.11 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.952 -1.093 . . . . 0.0 110.145 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -55.12 109.46 1.61 Allowed Pre-proline 0 N--CA 1.505 2.28 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.248 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.66 154.87 62.41 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 N-CA-C 109.651 -0.942 . . . . 0.0 109.651 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.922 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.526 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.44 97.19 0.68 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -76.27 131.91 39.53 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.204 -0.935 . . . . 0.0 109.178 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -63.44 -31.37 72.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.905 . . . . 0.0 109.388 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.469 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 70.4 ttt180 -52.62 -37.35 58.22 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.867 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -71.87 -29.41 64.33 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.358 -0.839 . . . . 0.0 109.709 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.23 -52.93 14.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.027 -1.046 . . . . 0.0 109.355 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.2 mt -53.72 -33.1 54.53 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.899 -1.125 . . . . 0.0 109.653 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.34 72.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.646 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.97 -34.33 62.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 110.476 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -77.36 -50.77 12.06 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.825 -1.172 . . . . 0.0 109.633 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.83 -26.45 65.81 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.135 -0.978 . . . . 0.0 108.661 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.19 -27.7 35.24 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.225 -0.922 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.25 -1.45 4.53 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.168 -0.957 . . . . 0.0 109.605 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.12 155.45 25.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.206 -0.934 . . . . 0.0 108.758 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.48 161.37 27.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.96 -39.77 75.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.15 -39.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.835 -1.166 . . . . 0.0 110.005 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 7.9 p30 -71.96 -28.14 63.24 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.631 -1.293 . . . . 0.0 108.731 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.507 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 34.3 tp -56.08 -50.98 69.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.297 -0.877 . . . . 0.0 109.114 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -60.62 -40.04 90.41 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.537 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.556 ' NZ ' ' NE2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -67.31 -27.12 66.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.246 -0.909 . . . . 0.0 109.872 -179.425 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.63 -43.11 85.59 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.958 -1.089 . . . . 0.0 110.287 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -65.64 -46.2 80.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.958 -1.089 . . . . 0.0 109.149 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -57.29 -34.3 68.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.898 . . . . 0.0 109.86 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.556 ' NE2' ' NZ ' ' A' ' 22' ' ' LYS . 46.7 m-70 -69.54 -43.01 73.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.72 -36.61 78.65 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.842 -1.161 . . . . 0.0 108.907 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -73.76 -27.44 61.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.095 -1.003 . . . . 0.0 109.341 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.52 8.98 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.338 -0.851 . . . . 0.0 109.996 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 120.19 74.2 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.031 -1.043 . . . . 0.0 108.308 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.19 166.18 13.3 Favored 'Trans proline' 0 CA--C 1.549 1.233 0 CA-C-N 119.986 1.031 . . . . 0.0 109.645 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -63.93 141.68 78.65 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 121.182 1.255 . . . . 0.0 109.536 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' OE1' ' SG ' ' A' ' 36' ' ' CYS . 31.2 tt0 -111.57 8.8 21.09 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptp 55.6 47.77 20.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.24 -0.913 . . . . 0.0 109.405 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.08 -64.65 0.17 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' SG ' ' OE1' ' A' ' 33' ' ' GLN . 89.1 m -63.45 129.86 42.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.328 -1.101 . . . . 0.0 109.015 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 pt -82.8 121.66 77.79 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.013 -1.054 . . . . 0.0 108.44 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.14 149.79 82.95 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.921 1.008 . . . . 0.0 109.635 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 10.0 mp -71.76 119.31 73.46 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 138.33 81.91 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.903 1.001 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.27 -33.75 76.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 109.774 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 -41.58 97.5 Favored Glycine 0 N--CA 1.504 3.219 0 C-N-CA 119.6 -1.286 . . . . 0.0 109.971 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -75.7 -33.94 60.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.795 -1.415 . . . . 0.0 109.67 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.0 m -70.2 -43.04 71.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.257 -0.902 . . . . 0.0 110.424 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -42.53 66.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.823 -1.173 . . . . 0.0 109.698 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -70.68 -17.01 62.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.884 -1.135 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.06 130.64 43.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 109.431 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.19 170.5 16.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.331 -0.856 . . . . 0.0 108.763 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -55.06 -37.47 66.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.35 -52.4 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.122 -0.986 . . . . 0.0 108.806 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -35.18 72.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 0.0 109.687 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.03 -51.3 70.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.018 -1.051 . . . . 0.0 109.606 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.176 -0.953 . . . . 0.0 109.783 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.469 ' OG1' ' NH2' ' A' ' 5' ' ' ARG . 88.2 m -70.48 -32.3 69.76 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.092 -1.005 . . . . 0.0 109.447 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.29 -34.23 70.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.035 -1.041 . . . . 0.0 108.555 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mmm -71.06 -43.71 67.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 109.612 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.87 -32.87 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 120.793 -1.192 . . . . 0.0 110.295 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.69 -52.16 10.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.706 -1.246 . . . . 0.0 112.094 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -81.72 -42.24 20.14 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.632 -1.293 . . . . 0.0 112.563 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -93.21 -27.68 16.73 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.388 -1.445 . . . . 0.0 110.748 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.74 169.67 32.59 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 8.3 tp10 -71.05 -34.77 71.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.171 -1.194 . . . . 0.0 110.423 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.37 -53.01 21.61 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.076 -1.015 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -73.44 -36.62 65.94 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.86 -1.15 . . . . 0.0 110.193 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.47 36.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.789 -1.195 . . . . 0.0 109.825 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.458 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 40.7 m0 -60.15 -38.09 82.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.29 83.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -0.935 . . . . 0.0 109.355 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 13.5 tpp -74.97 -32.22 61.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.267 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.18 69.59 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.836 . . . . 0.0 110.804 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 m -75.68 -43.38 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 120.953 -1.092 . . . . 0.0 110.75 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -63.38 -30.19 71.37 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.938 -1.101 . . . . 0.0 110.229 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.7 mt -73.1 -41.01 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.693 -1.254 . . . . 0.0 109.758 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -56.04 -46.81 78.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.492 -1.38 . . . . 0.0 109.828 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.71 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.877 -1.139 . . . . 0.0 109.741 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.08 -47.14 53.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.093 -1.004 . . . . 0.0 110.613 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 pt -84.9 20.37 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.976 -1.077 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 56.94 87.71 0.06 Allowed 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.684 0.754 . . . . 0.0 109.601 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -168.26 32.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -47.41 -27.85 1.86 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.892 -0.505 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.3 -24.82 8.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.759 -1.213 . . . . 0.0 109.905 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.08 -26.3 48.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.299 -0.876 . . . . 0.0 108.793 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -69.84 -34.04 73.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.707 -1.246 . . . . 0.0 108.684 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.92 -41.43 67.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.481 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.56 -52.79 10.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 109.798 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.4 -38.94 66.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -70.35 -27.54 64.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.214 -0.929 . . . . 0.0 109.544 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -78.77 -29.3 44.99 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.959 -1.088 . . . . 0.0 109.559 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.83 -2.86 52.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.236 -0.915 . . . . 0.0 109.585 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.99 114.33 7.35 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.112 -0.993 . . . . 0.0 108.827 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.74 146.97 96.3 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 CA-C-N 119.769 0.953 . . . . 0.0 109.626 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.907 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -74.0 -23.57 59.46 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.23 -0.919 . . . . 0.0 109.189 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.66 -40.82 72.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.92 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.4 m -69.94 -27.81 65.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.809 . . . . 0.0 109.42 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -70.95 -52.03 22.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.92 . . . . 0.0 110.056 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.91 -33.31 70.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.93 -1.106 . . . . 0.0 109.549 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.05 84.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.97 . . . . 0.0 109.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.79 -33.25 75.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 109.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -72.73 -53.08 12.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.038 -1.039 . . . . 0.0 109.864 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.28 -27.3 67.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.88 -1.137 . . . . 0.0 108.739 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -81.93 -35.16 29.41 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.188 -0.945 . . . . 0.0 109.48 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.88 -2.43 15.03 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.015 -1.053 . . . . 0.0 110.42 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.38 161.62 20.3 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.743 -1.223 . . . . 0.0 108.352 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.26 155.45 35.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.282 -0.887 . . . . 0.0 109.915 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.79 -47.36 83.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 109.864 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.41 -32.27 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 108.892 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -72.56 -29.08 63.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.012 -1.055 . . . . 0.0 108.547 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.42 -46.0 91.96 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.16 -32.71 74.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.431 -0.793 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.74 -28.02 62.38 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.999 -1.063 . . . . 0.0 109.557 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.89 -41.38 78.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.98 -1.075 . . . . 0.0 109.785 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.3 -47.4 50.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.108 -0.995 . . . . 0.0 109.932 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.3 ttt -58.61 -39.34 80.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.707 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.168 -0.958 . . . . 0.0 109.525 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.12 -48.45 43.63 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.229 -0.919 . . . . 0.0 109.465 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.86 -31.75 72.88 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.219 -0.926 . . . . 0.0 109.584 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.78 22.47 3.09 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 0.0 109.737 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.13 -0.981 . . . . 0.0 108.878 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 CA--C 1.539 0.73 0 N-CA-C 109.135 -1.14 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.5 mp -73.25 119.4 75.55 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.92 133.57 58.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 CA-C-N 119.93 1.011 . . . . 0.0 109.611 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -64.85 -46.15 83.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.71 -31.85 46.29 Favored Glycine 0 N--CA 1.505 3.269 0 C-N-CA 119.82 -1.181 . . . . 0.0 110.206 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' N ' ' OE1' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -75.17 -51.72 12.69 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.866 -1.373 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.6 m -63.8 -54.32 36.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.15 -0.969 . . . . 0.0 110.082 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.35 -39.88 76.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.049 -1.032 . . . . 0.0 109.636 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -76.71 -18.07 58.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.795 -1.191 . . . . 0.0 109.494 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.53 131.52 39.02 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.06 -1.025 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.628 ' OD2' ' CE1' ' A' ' 49' ' ' HIS . 38.9 t70 -80.03 179.67 7.49 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.336 -0.853 . . . . 0.0 109.1 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.628 ' CE1' ' OD2' ' A' ' 48' ' ' ASP . 3.0 p-80 -59.82 -46.62 88.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.082 -1.011 . . . . 0.0 109.193 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 49' ' ' HIS . 96.7 t -68.62 -51.26 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.962 -1.086 . . . . 0.0 108.804 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.57 -37.08 72.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -54.1 -44.46 71.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.988 -1.07 . . . . 0.0 109.294 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.62 70.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.177 -0.952 . . . . 0.0 109.561 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -69.54 -37.29 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 110.38 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.3 mp -71.24 -35.21 71.36 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.779 -1.201 . . . . 0.0 108.865 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.6 mtp -71.39 -42.76 67.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.202 -0.936 . . . . 0.0 109.737 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.1 mt -77.72 -37.16 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 120.78 -1.2 . . . . 0.0 110.01 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.14 -47.74 19.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.881 -1.137 . . . . 0.0 111.834 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -84.15 -42.61 15.83 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.77 -1.206 . . . . 0.0 112.844 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -94.87 -27.23 15.83 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.563 -1.336 . . . . 0.0 110.603 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.69 164.75 29.26 Favored Glycine 0 N--CA 1.505 3.24 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' OE1' ' NE1' ' A' ' 66' ' ' TRP . 7.4 tp10 -71.13 -33.76 70.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -1.101 . . . . 0.0 110.07 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.21 -52.88 16.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.123 -0.985 . . . . 0.0 110.301 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -71.66 -39.2 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.996 -1.065 . . . . 0.0 110.485 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.24 75.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.797 -1.19 . . . . 0.0 109.856 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.457 ' NE1' ' OE1' ' A' ' 62' ' ' GLU . 30.3 m0 -61.4 -40.3 93.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.149 -0.969 . . . . 0.0 109.084 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.05 75.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.633 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mmm -76.28 -32.5 58.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.214 -0.929 . . . . 0.0 109.171 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.95 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.298 -0.876 . . . . 0.0 110.345 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 71' ' ' TRP . 15.0 p -75.69 -40.24 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.06 -1.025 . . . . 0.0 110.494 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' VAL . 79.8 t90 -65.71 -30.06 70.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.047 -1.033 . . . . 0.0 110.218 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.95 -40.41 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 120.618 -1.301 . . . . 0.0 109.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -56.86 -47.03 81.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.397 -1.44 . . . . 0.0 109.709 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.34 -27.99 66.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.957 -1.089 . . . . 0.0 109.679 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.66 -46.79 68.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 110.281 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.4 pt -83.84 20.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.052 -1.03 . . . . 0.0 109.623 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 54.95 74.48 0.36 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.462 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.61 38.13 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -47.06 -36.4 8.06 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.734 -0.604 . . . . 0.0 110.999 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -58.69 -33.37 70.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.824 -1.172 . . . . 0.0 109.269 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.9 -26.03 64.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.828 . . . . 0.0 109.846 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.2 t80 -72.88 -35.49 67.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 108.847 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -64.27 -44.97 90.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.091 -1.006 . . . . 0.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -75.0 -43.29 54.73 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.121 -0.987 . . . . 0.0 109.923 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.85 72.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.153 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.4 -27.35 67.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.039 -1.038 . . . . 0.0 110.076 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -86.31 -28.21 23.85 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.794 -1.191 . . . . 0.0 110.61 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.93 -10.43 33.8 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.962 -1.086 . . . . 0.0 110.333 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.456 ' OE2' ' CE3' ' A' ' 66' ' ' TRP . 3.0 mm-40 -72.47 118.07 64.44 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.83 -1.169 . . . . 0.0 108.207 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 CA--C 1.538 0.71 0 N-CA-C 109.487 -1.005 . . . . 0.0 109.487 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -83.09 -28.02 29.81 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 109.45 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.266 -0.896 . . . . 0.0 109.668 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 7' ' ' LYS . 30.1 p -63.21 -38.36 90.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.397 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 57.6 mttp -60.62 -50.14 74.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 109.826 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.17 -33.13 51.21 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.95 -1.094 . . . . 0.0 109.829 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.62 84.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 109.592 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -59.1 -34.04 71.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.152 -0.968 . . . . 0.0 109.931 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 47.6 m-85 -71.87 -51.74 20.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.782 -1.199 . . . . 0.0 110.049 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.0 -26.49 65.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.008 -1.058 . . . . 0.0 109.188 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.69 -31.36 32.21 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.236 -0.915 . . . . 0.0 109.958 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.06 -2.68 4.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.014 -1.053 . . . . 0.0 109.821 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -93.3 160.96 14.59 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.988 -1.07 . . . . 0.0 109.103 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 11.4 mp0 -65.54 156.12 33.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.874 . . . . 0.0 109.436 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -57.74 -47.62 81.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.877 . . . . 0.0 109.712 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.07 -38.18 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.28 -29.4 69.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.064 -1.023 . . . . 0.0 108.515 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.07 -33.32 75.53 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' A' ' 25' ' ' MET . 55.7 tttm -70.96 -35.37 72.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.12 -28.38 61.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 72' ' ' ILE . 25.8 t80 -70.11 -42.14 73.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.911 -1.118 . . . . 0.0 109.696 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -68.29 -41.82 80.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.041 -1.037 . . . . 0.0 109.771 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.454 ' SD ' ' NZ ' ' A' ' 21' ' ' LYS . 15.1 mtt -64.6 -33.79 76.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.195 -0.94 . . . . 0.0 108.591 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.34 -38.59 84.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.218 -0.926 . . . . 0.0 109.317 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.93 -37.62 84.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 0.0 109.365 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -71.66 -30.8 66.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 109.824 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.25 32.21 0.28 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.14 -0.975 . . . . 0.0 109.887 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 CA--C 1.539 0.754 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.2 mm? -71.72 119.26 73.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.07 133.58 58.76 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 CA-C-N 119.977 1.027 . . . . 0.0 109.627 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.66 -42.84 95.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.333 -0.855 . . . . 0.0 109.519 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.08 -35.88 91.46 Favored Glycine 0 N--CA 1.503 3.123 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -75.62 -39.03 58.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.924 -1.339 . . . . 0.0 109.981 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -70.69 -46.37 63.28 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.478 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 2.1 pp20? -65.91 -40.36 91.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.866 -1.146 . . . . 0.0 109.508 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.7 tttp -72.04 -16.62 62.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.897 -1.127 . . . . 0.0 109.542 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.47 137.16 55.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 0.0 109.62 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 36.8 t70 -80.59 179.32 7.81 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.348 -0.845 . . . . 0.0 109.791 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.441 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.1 m80 -63.47 -49.11 74.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.915 . . . . 0.0 109.964 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.2 -35.13 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.979 -1.075 . . . . 0.0 108.753 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.58 -39.45 73.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.226 -0.922 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.48 -47.52 76.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.827 -1.171 . . . . 0.0 109.237 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.81 69.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.035 -1.041 . . . . 0.0 109.5 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.2 m -72.15 -32.59 67.04 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 109.916 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.39 70.36 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.917 -1.114 . . . . 0.0 108.684 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.4 mtp -67.92 -40.39 83.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 109.357 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.72 -34.87 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.831 -1.168 . . . . 0.0 109.925 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.24 -52.11 9.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.78 -1.2 . . . . 0.0 111.927 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -81.79 -42.4 19.77 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.737 -1.227 . . . . 0.0 112.768 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -93.23 -27.89 16.59 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.365 -1.459 . . . . 0.0 110.566 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.27 167.35 32.78 Favored Glycine 0 N--CA 1.503 3.152 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.86 -31.09 67.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.382 -1.07 . . . . 0.0 110.366 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -71.14 -52.83 17.04 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.113 -0.992 . . . . 0.0 110.506 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -73.5 -38.32 65.41 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.831 -1.168 . . . . 0.0 110.173 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.19 -51.72 61.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.202 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -61.51 -44.08 97.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.071 -1.018 . . . . 0.0 108.929 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.95 74.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.675 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtp -76.2 -32.57 59.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.26 76.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 71' ' ' TRP . 19.5 m -75.87 -41.78 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.064 -1.023 . . . . 0.0 110.407 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.469 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.5 t90 -65.75 -29.65 70.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.0 110.378 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.429 HG21 ' CE2' ' A' ' 23' ' ' PHE . 36.8 mt -72.46 -42.21 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 120.681 -1.262 . . . . 0.0 109.664 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.35 -46.83 79.81 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.388 -1.445 . . . . 0.0 109.54 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.82 67.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.871 -1.143 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.11 57.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.191 -0.943 . . . . 0.0 110.6 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.497 HD12 ' HE ' ' A' ' 78' ' ' ARG . 20.5 pt -83.64 19.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.876 -1.14 . . . . 0.0 109.584 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.99 71.46 0.51 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.665 -0.647 . . . . 0.0 110.496 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' HE ' HD12 ' A' ' 76' ' ' ILE . 16.7 mtt-85 -153.56 38.23 0.48 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.15 -28.99 43.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 110.153 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -56.41 -30.16 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.859 -1.15 . . . . 0.0 109.356 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -26.05 63.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.873 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.05 -37.68 66.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.684 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -44.67 95.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.12 -0.988 . . . . 0.0 109.188 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -74.92 -45.54 41.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 109.71 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.78 -30.24 43.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.235 -0.916 . . . . 0.0 109.529 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -70.39 -27.3 64.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 109.141 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 87' ' ' ARG . 3.9 ttt-85 -75.89 -27.73 57.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.913 -1.117 . . . . 0.0 109.635 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.408 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 20.8 t70 -91.64 -2.74 56.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.58 114.04 6.65 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.903 . . . . 0.0 109.145 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 -179.79 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -42.73 57.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.203 -0.935 . . . . 0.0 108.555 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -54.75 -34.68 62.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.601 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.07 -24.66 51.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.484 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.95 -48.96 26.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.346 -0.846 . . . . 0.0 110.306 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 8' ' ' LEU . 11.2 mp -71.05 -33.39 70.23 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.937 -1.102 . . . . 0.0 109.463 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.84 79.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.98 -1.075 . . . . 0.0 109.3 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -68.72 -33.41 73.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.307 -0.871 . . . . 0.0 109.109 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.45 -55.3 16.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.546 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.68 -25.24 64.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.994 -1.066 . . . . 0.0 109.21 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -81.99 -32.32 30.69 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.232 -0.917 . . . . 0.0 110.804 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 37.7 p30 -66.95 -19.31 65.7 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.812 -1.18 . . . . 0.0 110.793 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 73.9 mt -73.9 164.35 26.75 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.929 -1.107 . . . . 0.0 109.42 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.3 mp0 -65.47 154.67 37.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.094 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -54.92 -45.58 74.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.37 -0.831 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.66 -32.58 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 15.5 t70 -69.69 -31.69 69.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.87 -30.64 71.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.844 -1.16 . . . . 0.0 107.878 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -73.65 -48.86 29.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.504 -0.748 . . . . 0.0 110.758 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -75.65 -33.84 60.46 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.791 -1.193 . . . . 0.0 110.692 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -68.84 -41.36 78.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.73 -1.231 . . . . 0.0 109.795 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -72.21 -41.4 66.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.059 -1.025 . . . . 0.0 109.517 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 29' ' ' ASP . 1.3 tmt? -67.69 -34.11 76.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 109.606 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.64 74.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.125 -0.985 . . . . 0.0 109.561 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.15 -44.55 75.77 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.094 -1.003 . . . . 0.0 108.652 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -65.78 -32.86 74.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' SD ' ' A' ' 25' ' ' MET . 2.4 m-20 -91.71 19.92 6.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.155 -0.965 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 120.983 -1.073 . . . . 0.0 108.705 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 CA--C 1.539 0.748 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.8 mp -71.73 120.26 78.99 Favored Pre-proline 0 N--CA 1.492 1.66 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.67 133.88 51.58 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 CA-C-N 119.907 1.003 . . . . 0.0 110.066 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.58 -49.21 72.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.423 -0.798 . . . . 0.0 110.052 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.54 -37.56 56.44 Favored Glycine 0 N--CA 1.506 3.306 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.349 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -75.19 -36.14 61.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.809 -1.407 . . . . 0.0 109.885 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -69.68 -47.05 64.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.057 -1.027 . . . . 0.0 110.052 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.22 -40.03 88.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.972 -1.08 . . . . 0.0 109.416 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -75.05 -14.75 60.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.868 -1.145 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.12 132.82 43.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.27 168.88 18.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.303 -0.873 . . . . 0.0 108.907 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -53.96 -49.32 69.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.53 -46.1 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.023 -1.048 . . . . 0.0 108.743 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.2 -36.08 78.92 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.208 -0.933 . . . . 0.0 109.7 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.18 -49.02 70.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.834 -1.166 . . . . 0.0 108.881 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.71 68.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.66 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.9 m -70.19 -35.25 73.82 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.027 -1.046 . . . . 0.0 110.314 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.81 -34.9 72.22 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.745 -1.222 . . . . 0.0 108.375 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.6 mtp -69.21 -43.22 74.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.252 -0.905 . . . . 0.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.11 -39.1 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 120.862 -1.149 . . . . 0.0 110.241 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.17 -42.69 36.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.74 -1.225 . . . . 0.0 111.615 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -80.98 -42.24 21.53 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.897 -1.127 . . . . 0.0 112.397 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 20.6 m120 -99.23 -27.08 13.96 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.748 -1.22 . . . . 0.0 110.864 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.52 164.77 29.46 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.68 -31.03 67.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.253 -1.145 . . . . 0.0 110.033 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 10.5 mp0 -69.88 -52.53 24.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.482 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 60' ' ' ASN . 32.0 mtmm -73.39 -41.19 63.65 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.967 -1.083 . . . . 0.0 110.035 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.06 68.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.775 -1.203 . . . . 0.0 109.688 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.469 ' CZ3' ' OE2' ' A' ' 89' ' ' GLU . 45.3 m0 -58.92 -43.01 91.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.15 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.59 82.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.126 -0.984 . . . . 0.0 109.773 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.3 mtp -76.02 -32.6 59.46 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.277 -0.89 . . . . 0.0 109.328 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -62.85 -37.84 88.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.86 -54.17 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.192 -0.943 . . . . 0.0 110.264 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -55.0 -29.97 58.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.814 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.3 mt -72.75 -41.01 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 120.573 -1.33 . . . . 0.0 109.815 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -57.04 -46.99 81.99 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.279 -1.513 . . . . 0.0 109.824 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -27.89 68.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.883 -1.136 . . . . 0.0 109.64 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -47.05 75.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 110.242 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 18.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.991 -1.068 . . . . 0.0 108.856 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 56.21 70.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 109.822 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 94.9 mtt180 -149.41 39.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.5 -28.79 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.59 -0.694 . . . . 0.0 110.405 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.74 -27.07 26.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.976 -1.077 . . . . 0.0 109.608 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.4 -26.6 61.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.38 -0.825 . . . . 0.0 109.021 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -72.55 -34.18 67.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.762 -1.211 . . . . 0.0 108.597 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -65.47 -44.37 87.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.182 -0.949 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -74.98 -42.59 57.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.0 109.625 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.79 53.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.375 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -69.74 -27.48 64.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.478 -0.764 . . . . 0.0 109.004 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -80.61 -29.64 36.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.99 -1.069 . . . . 0.0 109.913 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -98.0 -5.25 34.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' OE2' ' CZ3' ' A' ' 66' ' ' TRP . 20.2 tp10 -56.14 113.64 6.18 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.538 0.705 0 N-CA-C 109.439 -1.024 . . . . 0.0 109.439 -179.704 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 m -61.45 -19.57 62.13 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 109.174 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -63.4 -38.8 92.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.943 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.4 m -74.35 -42.58 59.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -67.44 -52.06 44.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.064 -1.022 . . . . 0.0 109.611 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.75 -33.04 63.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.039 -1.038 . . . . 0.0 109.697 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.03 70.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.517 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 10' ' ' ARG . 15.8 mtt-85 -72.54 -33.05 66.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 34.1 m-85 -68.97 -53.29 21.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.148 -0.97 . . . . 0.0 109.343 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.59 -30.23 69.7 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' A' ' 15' ' ' LEU . 53.4 mt-10 -82.04 -24.17 35.47 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.56 -0.79 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.193 -0.942 . . . . 0.0 109.509 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 13' ' ' GLU . 53.8 mt -88.18 160.03 17.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.029 -1.044 . . . . 0.0 109.246 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.57 150.62 48.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 0.0 108.994 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -52.49 -47.59 66.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.146 -0.971 . . . . 0.0 110.007 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.093 -1.004 . . . . 0.0 109.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.15 -29.49 70.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.146 -0.972 . . . . 0.0 108.942 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.62 -36.49 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 0.0 109.529 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -58.29 -41.77 85.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.237 -0.915 . . . . 0.0 109.329 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE2' HG21 ' A' ' 72' ' ' ILE . 26.3 t80 -57.12 -35.62 69.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.417 -0.802 . . . . 0.0 109.436 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HZ1' ' HB3' ' A' ' 45' ' ' GLU . 63.2 tttp -68.4 -39.77 81.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.334 -0.854 . . . . 0.0 110.042 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 40.1 mtm -72.02 -39.21 69.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.222 -0.924 . . . . 0.0 109.43 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.11 69.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.061 -1.024 . . . . 0.0 110.008 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.38 -49.28 56.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.881 -1.137 . . . . 0.0 109.565 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 30' ' ' TYR . 53.6 mt-10 -72.39 -30.2 64.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.204 -0.935 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.27 29.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.15 -0.968 . . . . 0.0 109.933 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.429 ' H ' ' C ' ' A' ' 28' ' ' GLU . 37.6 t80 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 108.441 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.5 mm? -71.45 119.17 72.32 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -58.75 134.87 63.35 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 119.889 0.996 . . . . 0.0 109.815 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -64.63 -31.57 72.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.382 -0.824 . . . . 0.0 109.632 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.06 96.4 Favored Glycine 0 N--CA 1.505 3.274 0 C-N-CA 119.655 -1.259 . . . . 0.0 110.017 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -75.79 -31.59 59.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.713 -1.463 . . . . 0.0 109.433 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -75.12 -41.28 58.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HB3' ' HZ1' ' A' ' 24' ' ' LYS . 2.0 pp20? -73.6 -41.66 62.56 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.921 -1.112 . . . . 0.0 109.765 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.9 tttp -70.93 -16.4 62.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.939 -1.101 . . . . 0.0 109.569 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 130.76 44.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.2 167.73 19.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.551 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.0 p-80 -50.35 -44.55 54.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.986 -1.071 . . . . 0.0 110.325 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.25 -50.0 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.067 -1.021 . . . . 0.0 109.086 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -60.0 -35.15 74.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.198 -0.939 . . . . 0.0 109.606 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -52.0 64.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.174 -0.954 . . . . 0.0 109.206 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.69 69.85 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.11 -0.994 . . . . 0.0 109.867 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -73.19 -38.17 66.24 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.074 -1.016 . . . . 0.0 110.236 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.97 -35.72 69.62 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.813 -1.179 . . . . 0.0 109.369 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.4 ttt -71.71 -43.82 65.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.777 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -77.18 -37.11 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.873 -1.142 . . . . 0.0 110.024 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -76.8 -46.65 24.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.964 -1.085 . . . . 0.0 111.285 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -79.26 -41.48 28.07 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.822 -1.174 . . . . 0.0 112.164 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -92.93 -27.35 17.13 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 120.57 -1.331 . . . . 0.0 110.264 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.48 166.68 35.14 Favored Glycine 0 N--CA 1.501 2.994 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 4.5 tm-20 -70.81 -31.52 68.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -1.056 . . . . 0.0 110.104 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.38 -53.46 14.03 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.976 -1.078 . . . . 0.0 110.459 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.1 -39.42 65.82 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.968 -1.083 . . . . 0.0 110.294 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.01 68.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.908 -1.12 . . . . 0.0 109.666 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 11.1 m0 -66.16 -50.38 64.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 109.022 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.7 69.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.051 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.5 mmm -76.08 -33.52 59.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -70.74 -39.73 73.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -0.988 . . . . 0.0 110.25 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.0 -52.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.083 -1.011 . . . . 0.0 110.381 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -57.38 -32.46 66.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 110.33 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.405 HG21 ' CE2' ' A' ' 23' ' ' PHE . 42.0 mt -72.8 -34.85 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 120.563 -1.336 . . . . 0.0 109.241 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.3 m-30 -57.09 -47.32 81.33 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.649 -1.282 . . . . 0.0 109.53 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.03 69.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.928 -1.107 . . . . 0.0 109.779 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -46.89 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 110.156 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -84.49 19.51 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.988 -1.07 . . . . 0.0 109.505 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 54.1 86.45 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 109.782 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.57 30.18 0.32 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -47.39 -29.11 2.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.679 -0.638 . . . . 0.0 110.841 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.93 -51.39 59.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.993 -1.067 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.3 tp -57.74 -25.64 60.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 109.797 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.31 -39.81 74.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.829 -1.169 . . . . 0.0 108.684 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.2 -40.13 80.78 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.196 -0.94 . . . . 0.0 109.184 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -74.46 -43.1 57.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.353 -0.842 . . . . 0.0 109.289 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -34.26 68.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.283 -0.886 . . . . 0.0 109.722 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.64 -27.51 65.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.283 -0.886 . . . . 0.0 109.735 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -78.83 -28.33 44.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.964 -1.085 . . . . 0.0 109.96 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 22.8 t70 -90.41 -5.5 56.05 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.035 -1.041 . . . . 0.0 109.698 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.9 pt-20 -56.35 120.33 34.72 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.04 -1.038 . . . . 0.0 109.15 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 CA--C 1.539 0.747 0 N-CA-C 109.314 -1.071 . . . . 0.0 109.314 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -65.24 -15.67 62.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 109.083 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -58.4 -47.75 82.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 0.0 109.519 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.5 -29.65 67.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.59 -48.46 48.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.157 -0.964 . . . . 0.0 110.206 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.07 -34.1 76.86 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.33 -27.81 63.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 108.839 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -66.56 -33.16 75.06 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.505 -0.747 . . . . 0.0 109.515 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -75.16 -53.41 8.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.208 -0.933 . . . . 0.0 109.65 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 20' ' ' LEU . 19.4 mt -59.98 -26.25 65.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 108.853 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -81.9 -31.8 31.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.147 -0.971 . . . . 0.0 109.691 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.16 -1.12 38.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.921 -1.112 . . . . 0.0 110.736 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.18 156.6 19.61 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 108.618 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.33 150.23 48.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.849 . . . . 0.0 109.737 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.72 -47.73 81.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.0 110.352 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 19' ' ' ASP . 12.7 p -65.95 -41.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.933 -1.104 . . . . 0.0 109.584 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 18' ' ' VAL . 64.4 m-20 -70.44 -29.23 65.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.021 . . . . 0.0 108.603 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 12' ' ' LEU . 45.3 tp -65.1 -42.28 94.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.83 -45.69 91.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.429 -0.795 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -56.22 -32.81 64.77 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.1 -1.0 . . . . 0.0 109.642 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 72' ' ' ILE . 36.2 t80 -65.09 -42.04 94.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.14 -0.975 . . . . 0.0 109.815 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -67.02 -48.76 67.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.908 -1.12 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt -59.9 -33.81 72.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.367 -0.833 . . . . 0.0 109.098 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -69.28 -30.85 69.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.442 -0.786 . . . . 0.0 109.742 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.74 -43.06 97.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.995 -1.066 . . . . 0.0 109.318 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 30' ' ' TYR . 2.2 mp0 -73.62 -29.55 62.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.056 -1.028 . . . . 0.0 109.01 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.25 3.15 0.96 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 109.792 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 28' ' ' GLU . 33.5 t80 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 CA--C 1.538 0.708 0 N-CA-C 109.668 -0.935 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.6 mp -83.66 119.65 74.03 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.11 140.09 86.36 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 120.001 1.036 . . . . 0.0 109.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.01 -32.92 74.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.293 -0.879 . . . . 0.0 109.178 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.45 -24.74 67.96 Favored Glycine 0 N--CA 1.502 3.058 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -74.44 -35.95 63.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.029 -1.277 . . . . 0.0 110.599 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 p -72.2 -55.76 6.69 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.864 -1.147 . . . . 0.0 110.561 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.59 -38.02 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 110.029 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.55 -17.06 62.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.77 -1.206 . . . . 0.0 108.787 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.08 139.06 31.47 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.542 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.35 170.36 16.5 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.285 -0.885 . . . . 0.0 108.904 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -57.46 -47.23 82.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.992 -1.067 . . . . 0.0 109.555 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.94 -49.04 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.053 -1.029 . . . . 0.0 108.597 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -34.69 72.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.286 -0.884 . . . . 0.0 109.501 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.1 -51.18 67.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.952 . . . . 0.0 109.442 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.97 69.43 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.163 -0.961 . . . . 0.0 109.625 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.9 m -73.24 -35.36 66.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.079 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.2 -34.91 68.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.883 -1.136 . . . . 0.0 109.165 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.43 -39.83 70.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.013 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.53 -41.5 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.767 -1.208 . . . . 0.0 110.079 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -77.2 -48.0 18.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.931 -1.106 . . . . 0.0 111.323 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -76.89 -41.81 42.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.997 -1.065 . . . . 0.0 112.112 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.576 ' ND2' ' SD ' ' A' ' 68' ' ' MET . 23.7 t-20 -93.11 -27.16 17.1 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.686 -1.259 . . . . 0.0 110.122 -178.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.42 159.76 28.05 Favored Glycine 0 N--CA 1.504 3.191 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -70.66 -31.25 68.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -1.06 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -71.23 -52.91 16.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.077 -1.014 . . . . 0.0 110.419 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.68 -40.71 63.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.063 -1.023 . . . . 0.0 110.163 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.7 23.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.904 -1.122 . . . . 0.0 110.315 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.054 -1.029 . . . . 0.0 109.101 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.52 70.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.817 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.576 ' SD ' ' ND2' ' A' ' 60' ' ' ASN . 7.5 mtt -75.97 -32.63 59.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.146 -0.971 . . . . 0.0 109.197 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.98 -44.65 79.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 109.898 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 71' ' ' TRP . 28.5 m -75.7 -39.23 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.14 -0.975 . . . . 0.0 110.088 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.43 ' N ' HG23 ' A' ' 70' ' ' VAL . 75.3 t90 -67.3 -33.96 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.076 -1.015 . . . . 0.0 110.007 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.418 HG21 ' CE2' ' A' ' 23' ' ' PHE . 49.1 mt -72.83 -34.15 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 120.652 -1.28 . . . . 0.0 108.628 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.803 -1.185 . . . . 0.0 109.543 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.41 69.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 109.834 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -61.97 -43.15 99.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.115 -0.991 . . . . 0.0 109.673 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.439 ' C ' ' H ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -72.95 14.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.087 -1.008 . . . . 0.0 108.887 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' A' ' 75' ' ' ALA . 6.0 m-20 55.72 5.37 0.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 110.173 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 78' ' ' ARG . 14.4 mtt-85 -81.11 55.19 2.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.051 -1.031 . . . . 0.0 108.567 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -54.96 -29.42 56.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.39 -0.819 . . . . 0.0 110.187 -179.511 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -59.23 -42.85 92.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.765 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.47 -26.11 68.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.405 ' CD2' ' NH2' ' A' ' 79' ' ' ARG . 84.0 t80 -71.58 -33.87 69.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.771 -1.206 . . . . 0.0 109.004 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.29 -41.98 99.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.175 -0.953 . . . . 0.0 108.734 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.61 -49.89 19.91 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.475 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.53 -31.54 62.18 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.839 . . . . 0.0 109.748 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -66.34 -27.69 68.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 109.659 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.42 -28.45 52.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.96 -1.087 . . . . 0.0 109.805 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.39 -4.63 58.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.006 -1.058 . . . . 0.0 109.733 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.7 pt-20 -56.37 122.39 49.25 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.1 -1.0 . . . . 0.0 109.018 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.539 0.756 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -35.16 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.209 -0.932 . . . . 0.0 108.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -52.76 -47.57 67.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.269 -0.894 . . . . 0.0 109.817 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.4 -32.13 69.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.268 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -65.47 -47.02 77.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.378 -0.827 . . . . 0.0 109.762 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.81 -33.38 74.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.058 -1.026 . . . . 0.0 109.015 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.86 77.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.965 -1.085 . . . . 0.0 109.469 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -68.93 -33.67 74.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.411 -0.806 . . . . 0.0 109.798 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.66 -55.15 5.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.954 -1.091 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.0 -26.65 62.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.105 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.45 -25.64 35.94 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.141 -0.974 . . . . 0.0 108.845 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.23 -1.71 2.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.729 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -96.26 156.05 16.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.172 -0.955 . . . . 0.0 109.337 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -65.54 150.67 48.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.442 -0.786 . . . . 0.0 109.195 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.51 -47.3 66.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.0 110.113 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.75 -39.44 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.132 -0.98 . . . . 0.0 109.583 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.29 -29.34 69.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.026 -1.046 . . . . 0.0 108.99 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.19 -38.81 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 108.781 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 6.4 ttpm? -68.75 -38.85 80.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.022 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 50.2 mttp -67.68 -27.84 67.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.113 -0.992 . . . . 0.0 109.184 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.432 ' CE2' HG21 ' A' ' 72' ' ' ILE . 41.5 t80 -67.1 -42.32 84.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 109.377 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -69.44 -43.44 73.31 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.421 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.5 -34.17 68.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 0.0 109.581 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -65.91 -37.6 86.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.184 -0.947 . . . . 0.0 109.103 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.05 -32.12 73.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.123 -0.985 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.38 -14.16 60.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.653 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.1 52.76 1.97 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.508 -0.745 . . . . 0.0 109.34 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.644 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo . . . . . 0 CA--C 1.541 0.833 0 N-CA-C 109.6 -0.961 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.74 122.35 60.81 Favored Pre-proline 0 N--CA 1.499 1.992 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.08 133.45 41.08 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 120.03 1.046 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -65.13 -44.66 87.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.14 -34.67 74.13 Favored Glycine 0 N--CA 1.505 3.247 0 C-N-CA 119.8 -1.19 . . . . 0.0 110.562 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.81 -41.19 60.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.75 -1.441 . . . . 0.0 110.059 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.4 m -66.75 -45.59 78.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.866 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.52 -38.55 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.01 -1.056 . . . . 0.0 109.534 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.82 -17.41 62.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.837 -1.164 . . . . 0.0 109.065 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.13 127.83 34.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 0.0 109.581 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -79.96 168.24 19.46 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.184 -0.948 . . . . 0.0 108.448 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.557 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.2 p-80 -48.47 -40.95 28.18 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.915 -1.116 . . . . 0.0 110.596 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.0 -47.79 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.127 -0.983 . . . . 0.0 109.284 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.66 -35.07 79.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 0.0 109.805 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.48 -51.65 67.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.117 -0.989 . . . . 0.0 109.023 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.74 67.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 109.909 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.2 m -72.74 -36.33 67.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.123 -0.986 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -70.99 -34.66 71.58 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.9 -1.125 . . . . 0.0 108.84 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mmm -66.85 -40.1 87.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 109.293 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.29 -40.49 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.97 -1.081 . . . . 0.0 110.462 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.91 -46.6 23.81 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.725 -1.234 . . . . 0.0 111.555 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -72.7 -42.29 64.36 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.955 -1.091 . . . . 0.0 112.548 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -99.44 -27.68 13.62 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 120.76 -1.213 . . . . 0.0 110.787 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.45 165.65 24.56 Favored Glycine 0 N--CA 1.505 3.269 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.65 -34.18 71.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -1.137 . . . . 0.0 109.969 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.93 -52.43 20.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.314 -0.866 . . . . 0.0 110.975 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.48 -37.96 74.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.911 -1.118 . . . . 0.0 109.972 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -52.22 60.23 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.929 -1.107 . . . . 0.0 110.218 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -59.25 -47.41 85.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 108.954 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.85 -37.92 66.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.6 mtp -77.14 -32.5 56.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.9 70.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.9 . . . . 0.0 110.679 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 71' ' ' TRP . 32.1 m -75.85 -41.13 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.948 -1.095 . . . . 0.0 110.721 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' N ' HG23 ' A' ' 70' ' ' VAL . 82.4 t90 -66.79 -30.04 70.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.057 -1.027 . . . . 0.0 110.307 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.432 HG21 ' CE2' ' A' ' 23' ' ' PHE . 41.0 mt -72.86 -41.9 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.655 -1.278 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -56.99 -46.96 81.89 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.322 -1.486 . . . . 0.0 109.749 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -28.02 68.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.938 -1.102 . . . . 0.0 109.809 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -65.35 -46.8 78.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.124 -0.985 . . . . 0.0 110.269 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.14 19.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.127 -0.983 . . . . 0.0 108.537 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.441 ' H ' ' C ' ' A' ' 75' ' ' ALA . 37.2 m-80 58.83 16.92 4.83 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.64 -0.662 . . . . 0.0 110.109 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -79.53 52.75 1.44 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.121 -0.987 . . . . 0.0 108.571 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -53.09 -36.97 61.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.761 . . . . 0.0 110.977 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.84 -48.64 70.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.839 -1.163 . . . . 0.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.73 -26.55 61.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 108.845 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.99 -35.17 62.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.476 -1.39 . . . . 0.0 109.525 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -60.71 -44.89 96.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.966 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.29 -34.28 61.29 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.984 -1.072 . . . . 0.0 110.145 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.86 70.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 110.179 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -28.44 64.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.047 . . . . 0.0 109.413 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.31 -24.82 62.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.087 -1.008 . . . . 0.0 109.95 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -96.15 -3.25 44.81 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.243 -0.911 . . . . 0.0 110.147 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.78 117.08 31.8 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.093 -1.005 . . . . 0.0 108.358 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 CA--C 1.539 0.746 0 N-CA-C 109.404 -1.037 . . . . 0.0 109.404 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.2 m -66.05 -19.56 65.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.321 -0.862 . . . . 0.0 109.195 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -57.13 -49.77 74.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.93 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.0 m -68.64 -28.34 66.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.159 -0.963 . . . . 0.0 109.412 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HZ2' ' HE2' ' A' ' 11' ' ' TYR . 19.8 tptp -69.02 -45.53 70.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.19 -46.07 90.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.137 -0.977 . . . . 0.0 108.437 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.07 82.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.009 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -55.76 -33.21 64.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.387 -0.821 . . . . 0.0 109.785 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.557 ' HE2' ' HZ2' ' A' ' 7' ' ' LYS . 17.9 m-85 -77.57 -56.34 4.61 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.104 -0.998 . . . . 0.0 109.919 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 -26.16 64.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.945 -1.097 . . . . 0.0 108.919 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.5 -25.73 38.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -80.89 -4.49 55.03 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.189 -0.945 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD22 HH22 ' A' ' 78' ' ' ARG . 25.8 mt -93.16 169.41 10.42 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 120.826 -1.171 . . . . 0.0 109.639 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.45 149.99 49.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.594 -0.691 . . . . 0.0 109.617 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.27 -40.52 74.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.897 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.97 -32.39 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.12 -0.987 . . . . 0.0 109.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.8 -29.34 66.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.928 -1.108 . . . . 0.0 108.218 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.94 -45.73 91.12 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.56 -38.16 88.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.83 -0.543 . . . . 0.0 110.976 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.15 -28.0 64.99 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.826 -1.171 . . . . 0.0 110.122 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CE2' HG21 ' A' ' 72' ' ' ILE . 12.2 t80 -68.6 -40.7 80.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.912 -1.118 . . . . 0.0 109.592 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.65 -48.15 64.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.134 . . . . 0.0 108.752 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.425 ' SD ' ' OD2' ' A' ' 29' ' ' ASP . 12.5 tmm? -51.64 -33.92 35.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.58 -0.7 . . . . 0.0 109.759 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.31 -43.42 81.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.256 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.46 -31.26 62.19 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.052 -1.03 . . . . 0.0 109.052 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.8 -17.85 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' OD2' ' SD ' ' A' ' 25' ' ' MET . 30.2 p30 -143.74 52.0 1.33 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.309 -0.869 . . . . 0.0 109.462 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.738 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo . . . . . 0 CA--C 1.538 0.719 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.2 mm? -82.69 119.33 74.33 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.72 133.34 50.62 Favored 'Trans proline' 0 C--O 1.21 -0.913 0 CA-C-N 119.987 1.031 . . . . 0.0 109.601 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -65.54 -31.59 72.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.311 -0.868 . . . . 0.0 110.058 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.3 -40.32 22.26 Favored Glycine 0 N--CA 1.507 3.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.666 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' ALA . 17.0 pt20 -74.33 -39.72 62.66 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.473 -1.604 . . . . 0.0 110.25 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -55.8 -55.69 29.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.65 -39.08 90.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.066 -1.021 . . . . 0.0 109.6 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -77.42 -16.68 58.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.923 -1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -79.54 124.33 28.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.194 -0.941 . . . . 0.0 109.787 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -80.32 174.14 11.89 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.151 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -53.34 -45.25 69.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.881 -1.137 . . . . 0.0 109.99 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.16 -52.38 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.013 -1.054 . . . . 0.0 108.77 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.14 -34.3 68.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.693 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -55.58 -50.21 70.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.944 -1.097 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.96 70.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 109.6 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.6 m -70.57 -36.1 73.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.147 -0.97 . . . . 0.0 110.133 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.89 -34.86 69.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.942 -1.099 . . . . 0.0 109.059 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.63 -41.65 71.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.0 109.761 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.7 mt -77.74 -38.43 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 120.845 -1.159 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.08 -46.16 24.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.886 -1.134 . . . . 0.0 111.607 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -77.25 -42.28 37.83 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.92 -1.112 . . . . 0.0 112.116 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -94.66 -27.3 15.94 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 120.61 -1.306 . . . . 0.0 110.351 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.86 163.55 28.96 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.39 -33.7 71.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.212 -1.169 . . . . 0.0 109.892 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.73 -52.77 22.52 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.006 . . . . 0.0 110.494 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -72.27 -38.27 68.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.918 -1.114 . . . . 0.0 110.583 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -55.67 24.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.845 -1.159 . . . . 0.0 110.251 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -57.48 -38.87 75.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.078 -1.014 . . . . 0.0 108.973 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.37 88.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.203 -0.936 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.98 -32.56 59.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.253 -0.904 . . . . 0.0 109.114 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -58.55 -37.77 76.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.85 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.07 -54.82 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.254 -0.904 . . . . 0.0 110.224 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -54.41 -29.69 49.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.826 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.437 HG21 ' CE2' ' A' ' 23' ' ' PHE . 31.3 mt -72.47 -42.28 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.353 0 O-C-N 120.479 -1.388 . . . . 0.0 109.985 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -56.48 -46.76 80.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.388 -1.445 . . . . 0.0 109.779 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.84 68.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.99 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.952 . . . . 0.0 110.402 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.74 19.29 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 121.048 -1.033 . . . . 0.0 109.363 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 59.02 82.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 0.0 110.277 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.406 HH22 HD22 ' A' ' 15' ' ' LEU . 49.5 mtp180 -155.53 33.92 0.37 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 79' ' ' ARG . 4.6 ptt-85 -47.6 -29.01 2.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.17 -32.01 65.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.917 -1.114 . . . . 0.0 109.274 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.5 tp -69.62 -26.52 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.15 -34.1 68.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.71 -1.244 . . . . 0.0 108.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.91 -44.05 86.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -76.56 -36.43 57.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.916 -1.115 . . . . 0.0 110.109 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.73 80.35 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.214 -0.929 . . . . 0.0 111.044 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -28.57 70.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.744 -1.223 . . . . 0.0 109.432 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.98 -30.27 62.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.127 -0.983 . . . . 0.0 109.563 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -98.92 -5.24 31.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.353 -0.842 . . . . 0.0 109.689 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -56.96 115.14 9.5 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.207 -0.933 . . . . 0.0 109.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.0 m -83.92 -22.41 31.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.247 -0.908 . . . . 0.0 109.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -69.67 -42.53 74.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.242 -0.911 . . . . 0.0 109.673 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -71.64 -40.25 69.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 109.987 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.46 -49.33 27.37 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.15 -0.969 . . . . 0.0 110.141 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.48 -33.23 72.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.925 -1.109 . . . . 0.0 109.373 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.01 72.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.91 -33.08 74.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 109.44 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.0 -52.62 40.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 109.07 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -61.19 -30.56 70.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.262 -0.898 . . . . 0.0 108.733 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' LEU . 46.8 mt-10 -82.51 -28.29 31.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.323 -0.86 . . . . 0.0 109.274 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.31 0.98 0.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.011 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 13' ' ' GLU . 28.1 mt -87.51 162.66 17.1 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.831 -1.168 . . . . 0.0 109.605 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 21.4 mp0 -69.89 156.23 39.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.444 -0.785 . . . . 0.0 109.391 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.17 -42.24 80.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.797 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.77 -39.66 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.209 -0.932 . . . . 0.0 109.599 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -71.57 -29.11 64.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.55 -38.22 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.202 -0.936 . . . . 0.0 109.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -40.36 72.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 0.0 110.244 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 6.2 mptp? -64.37 -33.7 76.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.127 -0.983 . . . . 0.0 109.233 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -66.21 -39.43 89.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.992 -1.068 . . . . 0.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.85 -42.04 81.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.971 -1.081 . . . . 0.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.2 ttm -66.77 -35.96 81.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.14 -0.975 . . . . 0.0 109.869 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 26.0 m80 -69.34 -38.64 78.26 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.178 -0.951 . . . . 0.0 109.274 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 tp -74.18 -32.08 62.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.959 -1.088 . . . . 0.0 109.168 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.46 -35.01 75.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.266 -0.896 . . . . 0.0 110.108 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -100.57 51.44 0.88 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.39 -0.819 . . . . 0.0 109.677 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.057 -1.027 . . . . 0.0 108.865 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 CA--C 1.538 0.701 0 N-CA-C 109.64 -0.946 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.97 119.66 70.52 Favored Pre-proline 0 N--CA 1.496 1.871 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.44 144.17 84.59 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 CA-C-N 120.001 1.036 . . . . 0.0 109.713 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.27 -34.49 78.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 0.0 109.514 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.02 -24.9 55.72 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -74.51 -51.83 13.61 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.938 -1.33 . . . . 0.0 109.955 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.6 p -63.17 -49.34 74.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 109.989 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.1 -40.37 97.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.749 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -78.27 -17.48 56.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.503 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.17 130.07 39.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.206 -0.933 . . . . 0.0 109.627 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.24 167.68 20.0 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -51.91 -41.61 62.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 110.1 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.12 -48.97 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.04 -1.038 . . . . 0.0 108.97 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.38 -35.91 76.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 109.764 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.91 -51.95 67.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.024 -1.047 . . . . 0.0 109.078 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.71 69.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.007 -1.058 . . . . 0.0 109.614 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.3 m -72.27 -33.55 67.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.176 -0.952 . . . . 0.0 110.041 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.7 -34.4 69.59 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 108.851 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mmm -68.35 -41.56 80.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.936 . . . . 0.0 109.537 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.8 mt -78.05 -40.13 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.958 -1.089 . . . . 0.0 110.27 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.95 -44.85 29.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.782 -1.199 . . . . 0.0 111.372 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -73.15 -41.71 63.62 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.935 -1.103 . . . . 0.0 112.162 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -100.8 -27.47 13.33 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.811 -1.181 . . . . 0.0 111.025 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.13 165.26 24.83 Favored Glycine 0 N--CA 1.505 3.28 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.85 -37.06 73.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.08 -1.247 . . . . 0.0 110.476 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.65 -53.13 14.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.992 -1.068 . . . . 0.0 110.698 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.68 -38.02 80.02 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.018 -1.052 . . . . 0.0 110.476 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.23 -40.56 74.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.847 -1.158 . . . . 0.0 109.578 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -64.53 -37.66 88.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.0 108.902 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.3 88.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.903 . . . . 0.0 109.905 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.83 -37.22 59.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.092 -1.005 . . . . 0.0 109.246 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -63.41 -41.25 98.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.265 -0.897 . . . . 0.0 109.313 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -75.8 -41.91 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.82 . . . . 0.0 109.903 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -64.68 -34.04 77.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.9 -1.125 . . . . 0.0 110.01 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.91 -33.68 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.65 -1.281 . . . . 0.0 108.837 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' ' NH2' ' A' ' 78' ' ' ARG . 4.0 m-30 -56.81 -47.18 80.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.857 -1.152 . . . . 0.0 109.853 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.86 69.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.826 -1.171 . . . . 0.0 109.972 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.86 77.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.164 -0.96 . . . . 0.0 110.532 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 pt -90.03 19.64 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.022 -1.049 . . . . 0.0 109.712 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 1.6 m120 58.67 91.92 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.481 -0.762 . . . . 0.0 110.857 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.559 ' NH2' ' CE2' ' A' ' 73' ' ' PHE . 53.3 mtp180 -144.81 29.21 1.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -47.31 -37.44 10.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.586 -0.696 . . . . 0.0 110.606 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.4 -54.19 8.11 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.125 -0.984 . . . . 0.0 110.098 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -26.52 62.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.182 -0.949 . . . . 0.0 109.125 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.83 -38.61 73.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.957 -1.089 . . . . 0.0 108.773 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.4 -40.64 82.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.138 -0.976 . . . . 0.0 109.254 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.52 -43.63 54.97 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.347 -0.845 . . . . 0.0 109.39 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.98 72.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.02 -27.5 68.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -75.55 -29.29 59.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.937 -1.102 . . . . 0.0 109.562 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.23 -12.63 34.69 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.11 -0.994 . . . . 0.0 109.706 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.45 109.57 1.7 Allowed Pre-proline 0 N--CA 1.504 2.266 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.496 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 CA--C 1.539 0.732 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 m -78.83 -20.55 49.4 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.267 -0.895 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -56.91 -51.17 70.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.183 -0.948 . . . . 0.0 109.747 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.3 m -71.38 -23.79 61.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.183 -0.948 . . . . 0.0 109.837 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -73.65 -52.02 14.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.203 -0.935 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 57' ' ' ILE . 4.2 tp -61.64 -34.56 75.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.032 -1.042 . . . . 0.0 109.48 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.45 80.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.19 -0.944 . . . . 0.0 108.913 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -57.06 -33.1 66.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 109.531 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -70.89 -52.99 16.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.687 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.73 -28.71 68.88 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.446 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -81.71 -24.45 36.17 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.317 -0.865 . . . . 0.0 108.816 179.061 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.81 -2.04 11.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.169 -0.957 . . . . 0.0 110.025 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.15 159.41 15.03 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 121.022 -1.048 . . . . 0.0 109.386 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.54 159.49 24.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.4 -0.813 . . . . 0.0 109.788 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -47.3 86.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.328 -0.857 . . . . 0.0 109.888 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -32.51 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.982 -1.074 . . . . 0.0 109.132 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.42 -29.24 65.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.979 -1.075 . . . . 0.0 108.41 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.9 -31.39 70.27 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.87 -32.49 70.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.674 -0.641 . . . . 0.0 109.926 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.18 -27.98 59.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.104 -0.997 . . . . 0.0 109.779 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -71.9 -40.33 68.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.982 -1.074 . . . . 0.0 110.092 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -69.86 -46.21 66.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 109.946 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.4 ttm -58.75 -40.67 84.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.586 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -31.06 68.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.189 -0.944 . . . . 0.0 109.72 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.66 -52.43 31.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.145 -0.972 . . . . 0.0 109.965 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.73 -36.26 83.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.0 109.961 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -78.4 36.48 0.25 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.067 -1.021 . . . . 0.0 109.713 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.185 -0.947 . . . . 0.0 109.007 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo . . . . . 0 C--O 1.215 -0.659 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.9 mp -71.5 119.73 75.65 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.12 133.89 57.54 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 CA-C-N 119.921 1.008 . . . . 0.0 109.988 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -64.46 -32.1 73.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.662 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.41 93.46 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.564 -1.303 . . . . 0.0 110.265 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -75.05 -39.31 61.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.705 -1.468 . . . . 0.0 109.873 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.9 m -63.7 -52.5 60.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.009 . . . . 0.0 109.893 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.79 -36.67 85.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.995 -1.065 . . . . 0.0 109.447 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -70.57 -15.41 62.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.825 -1.172 . . . . 0.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.68 131.48 36.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.273 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 34.6 t70 -80.13 -179.9 7.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.235 -0.915 . . . . 0.0 109.294 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 27.1 m-70 -60.28 -47.77 84.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.606 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.17 -48.19 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.95 -1.094 . . . . 0.0 108.742 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.59 -34.47 75.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.64 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.45 -51.19 65.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.35 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.83 69.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.237 -0.914 . . . . 0.0 109.575 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.9 m -70.35 -35.65 73.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.061 -1.025 . . . . 0.0 110.122 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.12 -34.76 71.37 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.038 -1.039 . . . . 0.0 109.118 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 91.2 mtp -71.49 -41.82 68.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.951 . . . . 0.0 109.628 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.58 HD11 HD22 ' A' ' 8' ' ' LEU . 72.8 mt -77.93 -36.97 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.848 -1.158 . . . . 0.0 110.161 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 -46.15 25.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.71 -1.244 . . . . 0.0 111.51 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -78.78 -42.3 28.28 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.809 -1.182 . . . . 0.0 112.563 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -96.47 -27.42 14.89 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.666 -1.271 . . . . 0.0 110.655 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.22 165.78 29.95 Favored Glycine 0 N--CA 1.503 3.119 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.88 -30.96 67.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -1.193 . . . . 0.0 110.13 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.51 -52.81 19.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.224 -0.923 . . . . 0.0 110.757 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -73.34 -41.52 63.36 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.911 -1.118 . . . . 0.0 110.15 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.48 69.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.836 -1.165 . . . . 0.0 109.874 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -57.5 -46.56 83.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.249 -0.907 . . . . 0.0 109.055 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.84 71.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.127 -0.983 . . . . 0.0 109.972 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mtp -75.85 -32.61 59.84 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.201 -0.937 . . . . 0.0 109.361 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.69 -37.84 85.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.178 -0.951 . . . . 0.0 109.818 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.01 -48.11 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.182 -0.949 . . . . 0.0 110.311 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.01 -33.06 72.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.046 . . . . 0.0 110.429 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.0 mt -72.92 -34.35 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 120.516 -1.365 . . . . 0.0 109.044 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.8 m-30 -57.24 -47.3 81.72 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.868 -1.145 . . . . 0.0 109.76 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.17 69.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.905 -1.122 . . . . 0.0 109.845 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.73 80.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.12 -0.987 . . . . 0.0 110.089 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -83.98 18.76 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.119 -0.988 . . . . 0.0 109.684 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 56.04 83.72 0.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.339 -0.851 . . . . 0.0 109.721 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -159.3 30.53 0.2 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -50.26 -32.42 16.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.672 -0.643 . . . . 0.0 111.093 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -58.58 -40.62 83.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.673 -1.267 . . . . 0.0 109.545 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.36 -25.95 67.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.929 . . . . 0.0 110.18 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -70.25 -35.93 74.12 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.695 -1.253 . . . . 0.0 108.54 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -62.39 -42.95 99.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.126 -0.984 . . . . 0.0 108.758 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.09 -44.53 63.09 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.84 -32.1 51.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -70.78 -27.7 64.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 87' ' ' ARG . 1.9 mmt-85 -78.87 -28.49 44.19 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.828 -1.17 . . . . 0.0 109.874 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.33 -3.46 50.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 109.502 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.6 109.49 1.59 Allowed Pre-proline 0 N--CA 1.503 2.192 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.15 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 C--O 1.214 -0.723 0 N-CA-C 109.452 -1.018 . . . . 0.0 109.452 -179.661 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 m -67.49 -20.12 65.42 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -60.43 -51.09 70.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 0.0 109.74 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.62 -27.71 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.09 -43.13 68.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.191 -0.943 . . . . 0.0 109.681 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.42 -43.85 80.23 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.232 -0.918 . . . . 0.0 108.881 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -39.82 93.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.877 -1.139 . . . . 0.0 108.872 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -57.24 -33.08 67.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.22 -55.26 11.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.159 -0.963 . . . . 0.0 109.365 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.36 -26.56 68.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.067 -1.021 . . . . 0.0 108.753 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.34 -30.08 33.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.423 -0.798 . . . . 0.0 109.434 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.69 -2.41 9.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.973 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.27 168.38 11.13 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.917 -1.114 . . . . 0.0 109.038 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.82 164.37 26.13 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.321 -0.862 . . . . 0.0 109.062 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.58 -47.34 76.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.15 -33.02 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.961 -1.087 . . . . 0.0 108.819 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.24 -29.22 67.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.978 -1.076 . . . . 0.0 108.18 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.57 -31.21 71.78 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -66.19 -43.24 87.4 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.676 -0.64 . . . . 0.0 109.974 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 2.1 mptm? -63.49 -29.72 70.96 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.153 -0.967 . . . . 0.0 109.32 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.95 -43.25 71.95 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.888 -1.132 . . . . 0.0 109.978 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.37 -47.15 51.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.984 -1.073 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.6 ttt -58.13 -38.82 77.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 109.573 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 2.3 m80 -69.95 -31.18 68.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.111 -0.993 . . . . 0.0 109.338 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.06 -41.64 86.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.108 -0.995 . . . . 0.0 109.322 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.01 -31.96 72.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -89.62 29.54 1.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.2 -0.938 . . . . 0.0 109.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 t80 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 108.895 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 CA--C 1.539 0.755 0 N-CA-C 109.908 -0.843 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.15 123.41 88.01 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -52.29 135.77 53.99 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 CA-C-N 120.024 1.044 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.472 HH12 ' CD ' ' A' ' 45' ' ' GLU . 2.4 ttt-85 -63.9 -48.67 75.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.82 -29.4 50.13 Favored Glycine 0 N--CA 1.504 3.202 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -75.06 -40.07 60.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.069 -1.253 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -69.84 -46.97 64.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.214 -0.929 . . . . 0.0 109.758 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CD ' HH12 ' A' ' 41' ' ' ARG . 70.2 mm-40 -59.89 -39.65 86.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.967 -1.083 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -75.2 -14.76 60.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.904 -1.123 . . . . 0.0 109.147 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.22 126.05 30.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.224 -0.923 . . . . 0.0 109.617 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.35 169.63 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 109.089 179.668 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 1.9 p-80 -52.16 -44.87 64.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.121 -0.987 . . . . 0.0 110.101 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -68.71 -49.61 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.147 -0.97 . . . . 0.0 108.871 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -34.13 70.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.357 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.35 -51.67 66.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.043 -1.035 . . . . 0.0 108.977 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.79 65.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 m -73.81 -33.34 64.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.099 -1.0 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.95 -34.72 69.22 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.91 -1.119 . . . . 0.0 108.799 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.7 mmm -70.96 -42.98 69.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 109.642 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -77.81 -38.03 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.962 -1.086 . . . . 0.0 110.23 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -76.87 -42.33 40.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.875 -1.141 . . . . 0.0 111.546 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -83.24 -41.94 17.78 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.794 -1.191 . . . . 0.0 112.548 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -98.53 -27.88 13.84 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.29 176.33 39.01 Favored Glycine 0 N--CA 1.504 3.215 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 36.2 mp0 -70.94 -44.49 66.01 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.334 -1.098 . . . . 0.0 110.865 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -64.17 -49.27 72.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.802 -1.186 . . . . 0.0 112.041 -177.36 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 88.9 mttt -73.83 -42.18 61.23 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.346 -1.471 . . . . 0.0 109.661 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.66 -50.39 65.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.917 -1.114 . . . . 0.0 110.287 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -60.58 -35.3 75.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.125 -0.985 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.15 88.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.225 -0.922 . . . . 0.0 109.718 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.9 mtp -76.36 -32.31 58.55 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.219 -0.926 . . . . 0.0 109.295 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.77 81.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.913 . . . . 0.0 110.319 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 71' ' ' TRP . 14.6 p -75.67 -40.42 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.114 -0.991 . . . . 0.0 110.234 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' N ' HG13 ' A' ' 70' ' ' VAL . 86.8 t90 -65.98 -29.55 69.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.198 -0.938 . . . . 0.0 110.408 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.27 -42.25 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.506 -1.371 . . . . 0.0 109.621 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -56.84 -47.41 80.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.332 -1.48 . . . . 0.0 109.769 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.68 68.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.727 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.78 64.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 110.799 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.52 18.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.795 -1.19 . . . . 0.0 110.411 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.38 75.44 0.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.157 -0.965 . . . . 0.0 109.738 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -143.49 45.47 1.51 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -46.24 -32.94 3.34 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -54.53 -40.66 68.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.992 -1.068 . . . . 0.0 109.693 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.77 -25.36 66.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.824 . . . . 0.0 109.031 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -67.29 -33.77 75.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.861 -1.15 . . . . 0.0 109.176 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.66 -47.27 48.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.899 . . . . 0.0 110.365 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -74.58 -36.61 63.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.107 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.62 76.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.959 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -70.66 -27.48 64.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.174 -0.954 . . . . 0.0 110.092 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -83.71 -27.32 29.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.848 -1.157 . . . . 0.0 110.247 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -86.07 -2.63 58.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.019 -1.051 . . . . 0.0 110.02 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.33 114.8 8.37 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 121.099 -1.001 . . . . 0.0 108.464 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -67.78 -23.09 65.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.077 -1.014 . . . . 0.0 108.826 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 5' ' ' ARG . 20.5 mtt-85 -60.28 -51.02 71.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 109.523 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.5 p -59.68 -34.05 72.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.244 -0.91 . . . . 0.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.84 -51.83 55.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.296 -0.878 . . . . 0.0 109.467 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.19 -32.58 48.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.907 -1.12 . . . . 0.0 109.643 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.54 79.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.205 -0.934 . . . . 0.0 110.069 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.6 -33.82 73.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.157 -0.964 . . . . 0.0 110.054 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -72.07 -43.67 64.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -73.52 -26.75 61.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.097 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -81.79 -27.51 33.68 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -61.48 -5.63 1.88 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 109.852 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.33 160.44 26.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.209 -0.932 . . . . 0.0 109.788 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.57 161.72 30.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.499 -0.751 . . . . 0.0 109.406 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -47.67 81.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.955 . . . . 0.0 109.907 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.38 -32.45 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.023 -1.048 . . . . 0.0 108.96 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.02 -28.96 63.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.922 -1.111 . . . . 0.0 108.396 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -60.18 -39.05 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.383 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.2 -39.84 78.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.267 -0.895 . . . . 0.0 110.371 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -66.69 -40.41 88.51 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.033 -1.042 . . . . 0.0 109.925 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -63.47 -44.39 94.58 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.28 -0.887 . . . . 0.0 109.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -72.91 -48.16 39.48 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.023 -1.048 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.81 -38.93 92.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 0.0 109.776 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -69.78 -31.0 68.69 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.02 -50.27 71.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.194 -0.941 . . . . 0.0 109.7 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.48 -26.95 64.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.078 -1.014 . . . . 0.0 110.103 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -76.53 15.36 0.63 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.076 -1.015 . . . . 0.0 110.08 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.4 t80 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.054 -1.029 . . . . 0.0 108.248 179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 CA--C 1.54 0.777 0 N-CA-C 109.688 -0.928 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.7 mp -75.97 119.59 77.86 Favored Pre-proline 0 N--CA 1.494 1.738 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -56.18 135.95 72.66 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 CA-C-N 119.903 1.001 . . . . 0.0 109.79 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -64.25 -31.71 73.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.356 -0.84 . . . . 0.0 109.714 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.15 95.13 Favored Glycine 0 N--CA 1.502 3.044 0 C-N-CA 119.571 -1.3 . . . . 0.0 110.112 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.27 -52.06 11.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.859 -1.377 . . . . 0.0 109.965 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.6 m -60.95 -35.16 76.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -0.982 . . . . 0.0 109.649 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.86 -42.14 73.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.207 -0.933 . . . . 0.0 109.328 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.21 -11.71 54.3 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.846 -1.159 . . . . 0.0 109.528 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 129.9 41.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.38 171.82 14.57 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.345 -0.847 . . . . 0.0 108.775 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -56.52 -45.38 81.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.007 -1.058 . . . . 0.0 109.735 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.31 -52.64 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.056 -1.028 . . . . 0.0 108.986 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.63 -35.87 71.06 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 109.671 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.33 -49.54 71.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.148 -0.97 . . . . 0.0 109.627 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -29.06 69.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.155 -0.966 . . . . 0.0 110.007 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -71.73 -34.34 69.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.972 -1.08 . . . . 0.0 110.032 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.43 -34.8 70.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.05 -1.031 . . . . 0.0 108.598 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 ttm -67.59 -40.67 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.332 -0.855 . . . . 0.0 109.65 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.0 -35.56 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.743 -1.223 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.82 -51.07 12.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.764 -1.21 . . . . 0.0 111.834 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.3 -41.91 38.92 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.543 -1.348 . . . . 0.0 112.371 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -92.69 -27.45 17.26 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 120.267 -1.52 . . . . 0.0 110.478 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 164.06 31.09 Favored Glycine 0 N--CA 1.503 3.16 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.02 -34.49 73.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 110.339 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -53.24 19.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.035 -1.041 . . . . 0.0 110.424 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -72.23 -37.83 69.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.972 -1.08 . . . . 0.0 110.431 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.51 -49.72 66.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.746 -1.221 . . . . 0.0 109.854 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 108.656 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.4 72.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.2 mmm -76.21 -34.37 59.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.128 -0.983 . . . . 0.0 109.072 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 73' ' ' PHE . . . -65.14 -41.45 94.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.21 -0.931 . . . . 0.0 110.094 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 71' ' ' TRP . 35.2 m -76.71 -41.57 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.647 -1.283 . . . . 0.0 110.317 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.422 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.4 t90 -73.23 -30.24 63.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.061 -1.025 . . . . 0.0 111.296 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 73' ' ' PHE . 17.9 tt -72.07 -45.62 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 120.515 -1.366 . . . . 0.0 109.783 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 69' ' ' ALA . 20.0 m-85 -56.82 -46.48 81.62 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.545 -1.347 . . . . 0.0 109.492 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.04 -28.03 55.71 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.775 -1.203 . . . . 0.0 110.081 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.67 -46.68 81.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.081 -1.012 . . . . 0.0 109.986 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 76' ' ' ILE . 12.9 pt -79.88 19.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.098 -1.002 . . . . 0.0 109.428 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 54.45 24.89 5.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.715 -0.616 . . . . 0.0 111.171 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -92.53 50.63 1.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.002 -1.061 . . . . 0.0 108.341 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 79' ' ' ARG . 24.8 ttt-85 -55.18 -27.72 47.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.829 -0.544 . . . . 0.0 111.527 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -52.36 -46.56 66.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.697 -1.252 . . . . 0.0 110.876 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.78 -26.26 66.01 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.793 -1.192 . . . . 0.0 109.595 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -62.48 -33.75 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.508 -1.37 . . . . 0.0 108.787 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -72.65 -41.52 65.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.868 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -74.22 -52.81 11.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.974 -1.079 . . . . 0.0 110.099 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.68 -29.02 36.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.108 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -67.93 -27.53 66.7 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -79.81 -28.9 40.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.969 -1.082 . . . . 0.0 109.969 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.23 -2.78 58.07 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.06 -1.025 . . . . 0.0 109.739 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.2 pt-20 -55.74 120.05 29.86 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.184 -0.948 . . . . 0.0 108.999 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 N-CA-C 109.537 -0.986 . . . . 0.0 109.537 -179.813 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.259 0.552 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.64 -25.64 57.06 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.251 -0.906 . . . . 0.0 109.237 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -61.46 -39.4 90.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.664 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -70.49 -40.63 73.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.318 -0.864 . . . . 0.0 109.927 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.77 -51.84 30.49 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.157 -0.965 . . . . 0.0 109.945 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.56 -38.58 75.03 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.133 -0.979 . . . . 0.0 109.057 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.95 -27.82 63.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.153 -0.967 . . . . 0.0 109.492 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -69.98 -33.17 71.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 110.048 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -74.66 -53.64 8.92 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.058 -1.027 . . . . 0.0 109.631 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.27 -26.04 62.48 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.022 -1.049 . . . . 0.0 108.897 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.44 -22.18 38.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.168 -0.958 . . . . 0.0 108.962 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.03 -2.26 20.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.22 -0.925 . . . . 0.0 109.895 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.68 150.85 22.16 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.08 160.06 29.66 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.21 -47.51 85.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 109.938 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.64 -39.1 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -72.36 -29.13 63.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.62 -37.17 82.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.029 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 21' ' ' LYS . 7.8 mtpm? -69.83 -32.94 71.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.074 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 9.9 mtpm? -70.09 -28.38 65.37 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.056 -1.028 . . . . 0.0 109.175 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 72' ' ' ILE . 37.8 t80 -70.66 -39.35 73.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.997 -1.064 . . . . 0.0 109.379 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HZ3' HD13 ' A' ' 52' ' ' LEU . 51.0 mmtt -65.7 -50.02 66.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.096 -1.002 . . . . 0.0 109.483 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.5 ttm -65.57 -34.66 78.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.862 . . . . 0.0 109.963 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -69.19 -31.01 69.33 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.178 -0.951 . . . . 0.0 109.41 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.05 -32.24 64.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.082 -1.011 . . . . 0.0 109.264 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 30' ' ' TYR . 96.7 mt-10 -70.73 -30.55 67.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.874 . . . . 0.0 109.752 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -74.41 35.98 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 109.619 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.446 ' H ' ' C ' ' A' ' 28' ' ' GLU . 25.2 t80 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 108.517 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 C--O 1.214 -0.688 0 N-CA-C 109.378 -1.047 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -80.35 118.74 73.84 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -55.46 140.67 82.95 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 119.811 0.968 . . . . 0.0 109.821 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.54 -44.95 89.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.009 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -25.04 53.85 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.55 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.8 -52.51 11.23 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.407 . . . . 0.0 110.363 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -64.22 -34.27 77.72 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.864 -1.147 . . . . 0.0 109.967 -178.698 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.48 -40.37 77.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.778 -1.201 . . . . 0.0 109.443 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.35 -16.23 46.88 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.833 -1.167 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.35 129.42 39.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.006 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 16.8 m-20 -80.36 165.4 22.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.257 -0.902 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 10.2 p-80 -56.89 -31.96 65.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.181 -0.95 . . . . 0.0 110.442 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.22 -53.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.093 -1.004 . . . . 0.0 110.332 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 2.6 p30 -69.44 -34.35 74.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.989 -1.07 . . . . 0.0 109.769 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 11.7 tp -55.01 -51.23 66.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.906 -1.121 . . . . 0.0 109.625 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -29.08 70.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.177 -0.952 . . . . 0.0 109.965 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.6 m -75.51 -37.23 60.26 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.861 . . . . 0.0 110.646 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.17 -34.19 68.28 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.883 -1.136 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.6 ttt -65.38 -42.5 92.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.224 -0.923 . . . . 0.0 110.278 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.41 -40.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.464 0 O-C-N 120.682 -1.261 . . . . 0.0 110.481 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.72 -51.2 13.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.024 . . . . 0.0 111.481 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.55 -41.27 55.3 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.965 -1.085 . . . . 0.0 111.914 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -92.63 -27.31 17.39 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.687 -1.258 . . . . 0.0 109.659 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.24 142.89 8.45 Favored Glycine 0 N--CA 1.505 3.275 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.92 -40.38 97.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 0.0 109.256 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.43 -52.8 16.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.151 -0.968 . . . . 0.0 109.903 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -62.88 -38.33 90.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 109.877 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.52 -53.24 57.05 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.964 -1.085 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -53.95 -40.13 66.54 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.021 -1.049 . . . . 0.0 109.447 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.85 83.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.9 mmm -75.93 -32.43 59.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.087 -1.008 . . . . 0.0 109.035 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -69.16 -43.46 74.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.87 . . . . 0.0 110.401 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 71' ' ' TRP . 23.6 m -75.65 -43.67 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.044 -1.035 . . . . 0.0 110.546 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.491 ' N ' HG23 ' A' ' 70' ' ' VAL . 71.7 t90 -66.02 -32.76 74.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.944 -1.097 . . . . 0.0 109.956 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.41 HG21 ' CE2' ' A' ' 23' ' ' PHE . 5.2 mm -72.48 -34.12 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 120.654 -1.279 . . . . 0.0 108.688 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.35 -47.51 81.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.805 -1.184 . . . . 0.0 109.793 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.96 68.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.937 -1.102 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -67.26 -40.9 86.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 0.0 110.423 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -70.67 5.25 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.015 -1.053 . . . . 0.0 109.012 -179.305 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.505 ' ND2' HH22 ' A' ' 79' ' ' ARG . 8.2 t-20 62.87 47.71 4.35 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.557 -0.714 . . . . 0.0 109.66 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 78' ' ' ARG . 15.9 mtt-85 -135.1 50.89 2.12 Favored 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.505 HH22 ' ND2' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -54.4 -28.82 46.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.241 -0.912 . . . . 0.0 110.51 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.19 -46.53 72.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -26.63 68.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.623 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.09 -34.43 71.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.694 -1.254 . . . . 0.0 108.882 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.0 -41.42 98.03 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.2 -0.937 . . . . 0.0 108.758 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -74.8 -48.34 25.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.386 -0.821 . . . . 0.0 109.408 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.77 -33.64 56.5 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.278 -0.889 . . . . 0.0 109.428 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -67.74 -27.43 66.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -79.41 -29.92 42.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.898 -1.126 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -94.65 -4.18 48.11 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.225 -0.922 . . . . 0.0 109.799 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -54.87 109.32 1.51 Allowed Pre-proline 0 N--CA 1.503 2.216 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.514 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 109.325 -1.067 . . . . 0.0 109.325 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -68.29 -28.62 67.34 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -54.18 -42.49 69.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -67.84 -25.37 65.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.355 -0.841 . . . . 0.0 109.266 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -73.68 -46.3 47.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.333 -0.854 . . . . 0.0 110.043 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.04 -33.59 72.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.075 -1.016 . . . . 0.0 109.779 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.56 94.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.145 -0.972 . . . . 0.0 109.681 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.54 -32.94 74.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.91 -55.05 29.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.191 -0.943 . . . . 0.0 109.621 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.64 -26.2 61.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.978 -1.076 . . . . 0.0 108.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.34 -29.51 34.1 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.127 -0.983 . . . . 0.0 109.052 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -68.01 1.01 2.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.963 . . . . 0.0 109.725 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.2 158.77 15.94 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -65.37 162.59 17.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.388 -0.82 . . . . 0.0 109.884 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.07 -47.56 70.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 0.0 110.093 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.23 -40.0 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.953 -1.092 . . . . 0.0 109.155 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -63.28 -29.46 70.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.001 -1.062 . . . . 0.0 108.614 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.79 -31.33 71.89 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -65.38 -37.45 87.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.654 -0.654 . . . . 0.0 109.651 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -70.39 -28.13 64.85 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.072 -1.017 . . . . 0.0 109.617 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -67.84 -42.59 81.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.835 -1.166 . . . . 0.0 109.678 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -72.36 -47.8 46.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.049 -1.032 . . . . 0.0 109.613 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.75 -35.35 68.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 109.465 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -41.86 75.26 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.218 -0.927 . . . . 0.0 109.462 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -74.34 -31.71 62.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.179 -0.951 . . . . 0.0 108.817 -179.791 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.88 -14.45 59.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.357 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -141.15 60.01 1.51 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.367 -0.833 . . . . 0.0 108.946 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 109.519 -0.993 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -75.56 125.13 88.98 Favored Pre-proline 0 N--CA 1.494 1.774 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -51.55 134.82 47.18 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 120.061 1.057 . . . . 0.0 109.888 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.468 HH11 ' CG ' ' A' ' 41' ' ' ARG . 8.4 mtt-85 -63.97 -32.0 73.39 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.988 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.75 94.78 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.305 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.72 -51.82 11.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.719 -1.46 . . . . 0.0 109.893 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.0 m -56.89 -46.5 81.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.295 -0.878 . . . . 0.0 110.474 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.33 -43.66 73.27 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.583 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -73.62 -17.29 61.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.973 -1.079 . . . . 0.0 109.665 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.42 133.52 55.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -80.32 168.07 19.48 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 109.084 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -53.22 -49.51 66.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 109.824 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.38 -46.25 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.029 -1.045 . . . . 0.0 108.743 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.11 -34.76 73.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.0 109.462 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.0 -52.04 64.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.108 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.64 70.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.075 -1.016 . . . . 0.0 109.709 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.3 m -72.7 -33.1 66.26 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.151 -0.968 . . . . 0.0 110.261 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.19 -34.03 70.51 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.83 -1.169 . . . . 0.0 108.718 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.5 mtp -67.15 -40.53 86.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.389 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.5 -41.27 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.07 -1.019 . . . . 0.0 110.411 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.67 -41.23 46.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.671 -1.268 . . . . 0.0 111.416 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.83 -41.75 67.81 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.047 -1.033 . . . . 0.0 112.295 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -107.38 -27.54 10.4 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.999 -1.063 . . . . 0.0 111.184 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.07 167.93 22.24 Favored Glycine 0 N--CA 1.507 3.429 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -71.04 -35.74 72.08 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.081 -1.247 . . . . 0.0 110.623 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -71.69 -53.08 14.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -67.18 -38.52 85.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.099 -1.001 . . . . 0.0 109.788 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.72 -49.01 69.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.931 -1.106 . . . . 0.0 110.061 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -58.86 -47.8 83.61 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.079 -1.013 . . . . 0.0 109.044 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.31 -36.54 66.31 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 109.724 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 36.6 mmm -76.21 -33.95 59.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.314 -0.866 . . . . 0.0 109.134 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.412 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.4 -37.94 83.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.013 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.97 -55.16 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.182 -0.948 . . . . 0.0 110.398 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.8 -29.75 55.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 110.819 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.77 -41.94 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.346 0 O-C-N 120.605 -1.309 . . . . 0.0 109.912 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 6.6 m-85 -57.37 -47.13 82.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.269 -1.519 . . . . 0.0 109.719 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.93 -28.21 67.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.619 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.37 78.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.092 -1.005 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.436 HD12 ' HE ' ' A' ' 78' ' ' ARG . 17.4 pt -85.96 18.94 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 t30 58.88 77.97 0.28 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.58 -0.7 . . . . 0.0 110.604 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HE ' HD12 ' A' ' 76' ' ' ILE . 35.4 mtt-85 -154.01 36.04 0.44 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -48.05 -29.22 3.35 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.469 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.16 -29.2 63.44 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.966 -1.084 . . . . 0.0 109.324 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -72.11 -26.23 62.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -71.96 -34.74 69.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.722 -1.236 . . . . 0.0 108.573 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -66.42 -44.33 83.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.958 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.91 -36.8 62.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.124 -0.985 . . . . 0.0 109.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.25 69.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.37 -27.63 64.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.03 -30.48 28.05 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.838 -1.164 . . . . 0.0 110.17 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.92 -2.93 55.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.129 -0.982 . . . . 0.0 109.475 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.8 pt-20 -56.03 122.72 49.46 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.218 -0.926 . . . . 0.0 109.113 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.537 0.672 0 N-CA-C 109.482 -1.007 . . . . 0.0 109.482 -179.83 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.336 0.589 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -69.44 -14.24 62.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.306 -0.871 . . . . 0.0 109.022 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.41 -47.73 80.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.235 -0.916 . . . . 0.0 109.746 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 p -70.69 -30.9 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.003 . . . . 0.0 109.684 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.56 -46.34 69.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 110.022 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.35 -37.39 80.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.151 -0.968 . . . . 0.0 109.521 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.62 74.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 10' ' ' ARG . 3.7 ttt-85 -59.18 -33.55 71.08 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.474 -0.766 . . . . 0.0 109.62 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.56 -53.8 7.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.063 -1.023 . . . . 0.0 110.21 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -63.73 -26.47 68.66 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.032 -1.043 . . . . 0.0 109.276 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -81.12 -26.78 35.9 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.341 -0.85 . . . . 0.0 109.09 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.13 -2.72 25.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -87.19 161.23 18.17 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.72 -1.238 . . . . 0.0 109.441 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -70.32 161.35 30.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.473 -0.767 . . . . 0.0 109.83 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.44 -47.38 85.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.111 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.14 -38.61 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.475 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 35.8 t0 -72.7 -29.43 63.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.877 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.05 -36.28 79.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.979 -1.076 . . . . 0.0 108.688 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -72.42 -42.31 65.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -62.98 -48.83 77.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.286 -0.883 . . . . 0.0 109.24 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CE2' HG21 ' A' ' 72' ' ' ILE . 28.8 t80 -57.04 -38.01 72.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.336 -0.852 . . . . 0.0 109.379 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.07 -41.41 67.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.514 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.59 -42.22 87.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 0.0 110.085 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -70.21 -31.31 68.69 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.993 -1.067 . . . . 0.0 109.702 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.28 -52.35 19.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.994 -1.066 . . . . 0.0 110.013 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' CD ' HH12 ' A' ' 41' ' ' ARG . 2.4 pp20? -67.53 -34.04 76.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.922 -1.111 . . . . 0.0 109.61 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 24.8 t0 -74.5 12.56 0.76 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.1 t80 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 108.557 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 N-CA-C 109.561 -0.976 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.6 mp -71.64 120.14 78.2 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -52.86 133.94 52.93 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 119.891 0.997 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.494 HH12 ' CD ' ' A' ' 28' ' ' GLU . 23.6 ttm-85 -64.39 -35.49 81.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.389 -0.82 . . . . 0.0 109.855 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.99 -38.95 96.09 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.705 -1.236 . . . . 0.0 110.334 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -74.9 -49.28 20.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.853 -1.381 . . . . 0.0 109.87 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.8 m -64.79 -36.43 84.29 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.223 -0.923 . . . . 0.0 109.854 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -68.29 -42.86 78.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.973 -1.079 . . . . 0.0 108.982 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.85 -15.93 57.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 109.2 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.27 128.19 35.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.32 171.42 15.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.213 -0.929 . . . . 0.0 108.897 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -54.74 -42.83 72.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.043 -1.036 . . . . 0.0 109.808 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.9 t -69.69 -52.48 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.013 -1.055 . . . . 0.0 108.827 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -56.89 -38.26 72.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.02 -46.13 71.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 0.0 109.436 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.57 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.193 -0.942 . . . . 0.0 109.632 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -71.58 -38.97 70.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.181 -0.949 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.1 mp -71.46 -35.9 71.03 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.733 -1.229 . . . . 0.0 109.213 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.1 mtp -71.47 -43.24 66.98 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.009 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.6 mt -77.67 -38.78 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 120.79 -1.194 . . . . 0.0 110.143 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.97 -48.59 17.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 111.673 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.39 -41.63 17.94 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.906 -1.121 . . . . 0.0 112.571 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -92.68 -27.45 17.26 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.576 -1.328 . . . . 0.0 110.158 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.53 161.59 29.1 Favored Glycine 0 N--CA 1.502 3.076 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.72 -34.2 71.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -1.023 . . . . 0.0 110.323 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.28 -52.79 20.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.093 -1.004 . . . . 0.0 110.536 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.26 -40.05 64.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.933 -1.104 . . . . 0.0 110.247 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.6 67.36 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.854 -1.153 . . . . 0.0 110.005 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -64.38 -46.7 82.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.03 -1.044 . . . . 0.0 108.636 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.9 -41.63 64.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.138 -0.977 . . . . 0.0 109.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.9 tpp -70.85 -32.55 69.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.136 -0.977 . . . . 0.0 109.249 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.54 -34.44 77.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 0.0 110.27 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.01 -55.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.058 -1.026 . . . . 0.0 110.577 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -55.23 -30.0 59.14 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 110.933 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG21 ' CE2' ' A' ' 23' ' ' PHE . 52.1 mt -73.2 -40.7 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 120.543 -1.348 . . . . 0.0 109.965 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 10.3 m-85 -56.76 -46.91 81.13 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.231 -1.543 . . . . 0.0 109.689 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -27.91 63.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.84 63.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 110.348 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 76' ' ' ILE . 18.2 pt -85.9 19.32 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.996 -1.065 . . . . 0.0 109.683 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.56 81.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.545 -0.722 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 90.0 mtt180 -156.62 35.99 0.31 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -47.43 -28.84 2.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.553 -0.717 . . . . 0.0 110.549 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -57.0 -32.45 66.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -69.21 -26.23 64.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.394 -0.816 . . . . 0.0 109.642 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.28 -34.11 65.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.803 -1.186 . . . . 0.0 108.696 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.58 -43.5 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -75.83 -35.9 59.83 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.914 -1.116 . . . . 0.0 109.888 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.07 70.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 110.386 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -65.84 -28.31 68.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.93 -1.106 . . . . 0.0 108.983 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -73.86 -27.67 61.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.125 -0.984 . . . . 0.0 109.917 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -97.22 -9.34 27.93 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.19 -0.944 . . . . 0.0 110.05 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.32 109.89 1.89 Allowed Pre-proline 0 N--CA 1.504 2.247 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.531 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.539 0.745 0 N-CA-C 109.174 -1.125 . . . . 0.0 109.174 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -68.73 -38.29 80.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.122 -0.986 . . . . 0.0 108.837 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.76 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -59.34 -32.89 70.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 109.211 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.76 -47.17 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.703 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.6 -33.09 74.84 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.003 -1.06 . . . . 0.0 109.656 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.15 95.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.165 -0.96 . . . . 0.0 110.082 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.66 -32.98 71.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.141 -0.974 . . . . 0.0 109.684 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.37 -46.67 63.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.214 -0.929 . . . . 0.0 109.463 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.38 -26.06 62.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 109.095 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.43 -28.01 34.44 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.187 -0.945 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -61.91 -13.74 27.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.908 -1.12 . . . . 0.0 109.913 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.18 -178.46 3.91 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.64 160.21 15.5 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.17 -47.63 82.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.64 -39.74 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.091 -1.005 . . . . 0.0 109.35 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.82 -29.04 68.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.072 -1.017 . . . . 0.0 108.838 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -64.93 -31.58 72.88 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -74.64 -43.47 55.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.285 -0.885 . . . . 0.0 110.834 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 28.2 mtmm -67.23 -28.07 67.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.863 -1.148 . . . . 0.0 109.852 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.81 -47.07 61.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.867 -1.146 . . . . 0.0 109.744 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -68.05 -40.62 82.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.973 -1.079 . . . . 0.0 109.537 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.06 -33.93 65.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 109.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -66.92 -47.25 72.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.89 -31.05 62.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.46 -14.54 57.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.0 109.322 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -152.57 55.82 0.8 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.025 -1.047 . . . . 0.0 109.644 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 t80 . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.696 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 109.434 -1.026 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.9 mp -71.62 120.19 78.46 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -54.3 133.87 58.1 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-N 119.933 1.012 . . . . 0.0 109.873 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -63.48 -31.86 73.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.366 -0.834 . . . . 0.0 109.498 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 -38.9 93.48 Favored Glycine 0 N--CA 1.504 3.207 0 C-N-CA 119.589 -1.291 . . . . 0.0 109.878 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -75.78 -33.29 60.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.833 -1.392 . . . . 0.0 109.654 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 m -75.17 -48.51 23.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.299 -0.876 . . . . 0.0 110.624 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.0 -41.85 83.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.782 -1.199 . . . . 0.0 109.503 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.51 -17.07 61.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.994 -1.066 . . . . 0.0 109.526 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.5 29.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.989 . . . . 0.0 109.689 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.49 170.35 16.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.324 -0.86 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -50.36 -47.53 56.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.196 -0.94 . . . . 0.0 110.833 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.24 -37.37 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 120.965 -1.084 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -71.63 -38.23 70.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.203 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -55.87 -51.19 68.42 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.793 -1.192 . . . . 0.0 109.211 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.78 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.143 -0.973 . . . . 0.0 109.555 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.0 m -72.13 -33.64 67.95 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.283 -0.886 . . . . 0.0 110.227 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.2 -34.11 68.14 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.0 -1.062 . . . . 0.0 109.237 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mtp -65.87 -43.17 89.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.266 -0.896 . . . . 0.0 110.113 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.8 pt -79.24 -40.21 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 O-C-N 120.868 -1.145 . . . . 0.0 110.59 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.0 -42.46 48.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.026 -1.046 . . . . 0.0 111.339 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -77.63 -42.46 34.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.853 -1.154 . . . . 0.0 111.891 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -97.91 -27.05 14.45 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.885 -1.134 . . . . 0.0 110.114 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.49 156.58 10.24 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.84 -44.12 81.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.272 -1.134 . . . . 0.0 109.549 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 21.3 mp0 -71.59 -47.52 54.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.167 -0.958 . . . . 0.0 110.135 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -59.79 -38.07 80.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.034 . . . . 0.0 109.998 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.93 99.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.025 -1.047 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -60.14 -36.1 76.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.923 -1.111 . . . . 0.0 109.611 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.03 82.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.988 -1.07 . . . . 0.0 110.112 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 79.8 mtp -76.11 -32.18 59.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.055 -1.028 . . . . 0.0 108.993 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.64 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.495 -0.753 . . . . 0.0 110.523 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 71' ' ' TRP . 30.2 m -75.66 -39.75 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.035 -1.04 . . . . 0.0 110.514 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.432 ' N ' HG23 ' A' ' 70' ' ' VAL . 84.0 t90 -67.72 -30.13 69.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.01 -1.056 . . . . 0.0 110.349 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.1 mt -73.03 -41.41 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.704 -1.248 . . . . 0.0 109.644 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -56.9 -46.98 81.56 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.375 -1.453 . . . . 0.0 109.701 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.96 68.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.921 -1.112 . . . . 0.0 109.675 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.78 70.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.159 -0.963 . . . . 0.0 110.428 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 pt -79.11 19.76 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.056 -1.027 . . . . 0.0 109.774 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m120 57.9 65.32 1.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.68 -0.638 . . . . 0.0 110.431 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.482 HH21 ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -138.58 47.28 1.97 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.633 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 79' ' ' ARG . 2.1 mmt-85 -46.66 -28.54 1.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.658 -0.651 . . . . 0.0 110.952 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.482 ' CG ' HH21 ' A' ' 78' ' ' ARG . 13.5 p-10 -53.37 -35.03 59.85 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.932 -1.105 . . . . 0.0 109.899 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.02 -26.12 62.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.156 -0.965 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -68.01 -34.43 76.49 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.798 -1.189 . . . . 0.0 109.572 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.17 -45.63 55.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.081 -1.012 . . . . 0.0 110.088 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -74.73 -52.06 12.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.052 -1.03 . . . . 0.0 110.177 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.66 -42.17 67.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.01 -27.66 63.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.957 . . . . 0.0 109.734 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -88.14 -27.21 22.04 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.897 -1.127 . . . . 0.0 110.501 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -96.19 -2.62 45.9 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.197 -0.939 . . . . 0.0 110.132 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.56 122.92 48.0 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 120.912 -1.117 . . . . 0.0 109.051 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 CA--C 1.54 0.789 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 -179.571 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -34.2 73.47 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.22 -0.925 . . . . 0.0 108.821 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 5' ' ' ARG . 8.5 mtt-85 -55.59 -39.68 71.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.604 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.06 -27.26 67.96 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.317 -0.864 . . . . 0.0 109.445 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.502 ' NZ ' HH11 ' A' ' 10' ' ' ARG . 8.9 mmpt? -70.81 -52.09 22.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 8' ' ' LEU . 11.2 mp -54.88 -33.34 61.85 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.07 72.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -0.978 . . . . 0.0 109.364 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.502 HH11 ' NZ ' ' A' ' 7' ' ' LYS . 55.5 mtp180 -74.44 -33.33 62.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 109.993 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -75.51 -54.38 7.1 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.002 -1.061 . . . . 0.0 110.234 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.18 -26.29 64.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 108.919 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -81.78 -28.1 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.125 -0.985 . . . . 0.0 109.358 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.84 -1.61 4.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.003 -1.061 . . . . 0.0 109.839 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.35 156.11 17.17 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.247 -0.908 . . . . 0.0 109.335 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.42 159.28 27.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.334 -0.854 . . . . 0.0 109.55 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -47.39 82.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 109.848 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -59.58 -39.5 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.018 -1.051 . . . . 0.0 109.41 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' NH2' ' A' ' 78' ' ' ARG . 7.1 t70 -66.15 -29.5 69.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.068 -1.02 . . . . 0.0 109.116 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.02 -39.48 94.2 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.224 -0.923 . . . . 0.0 108.726 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -61.16 -40.36 93.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 0.0 109.679 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.1 -30.88 71.32 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.34 -42.57 87.94 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.883 -1.135 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.35 -49.09 45.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.009 -1.057 . . . . 0.0 108.592 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 ttt -55.79 -33.85 64.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.77 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -64.02 -43.88 94.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.215 -0.928 . . . . 0.0 109.354 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -74.19 -31.95 62.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.024 -1.048 . . . . 0.0 109.255 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.43 -35.28 80.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 109.511 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -99.03 27.89 4.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.369 -0.832 . . . . 0.0 109.265 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.7 t80 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 108.628 -179.837 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 CA--C 1.539 0.733 0 N-CA-C 109.418 -1.031 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.5 mp -78.86 119.8 78.56 Favored Pre-proline 0 N--CA 1.496 1.83 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.53 150.64 41.95 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 CA-C-N 119.896 0.998 . . . . 0.0 109.703 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -64.46 -43.37 94.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 0.0 109.77 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.57 -25.91 22.32 Favored Glycine 0 N--CA 1.505 3.281 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.312 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -75.1 -39.69 60.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.892 -1.358 . . . . 0.0 109.671 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -69.62 -38.51 77.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.183 -0.948 . . . . 0.0 110.042 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.68 -41.94 99.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 109.685 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -80.68 -13.32 59.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.728 -1.232 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.98 110.01 6.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.261 -0.899 . . . . 0.0 109.81 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.35 170.66 16.09 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.556 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.3 p-80 -49.49 -41.32 40.31 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.012 -1.055 . . . . 0.0 110.339 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.32 -51.1 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.123 -0.986 . . . . 0.0 109.2 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -59.5 -35.8 74.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.642 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.9 tt -55.18 -52.51 63.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -28.82 69.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.017 -1.052 . . . . 0.0 109.865 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.5 m -74.19 -34.74 63.85 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.176 -0.953 . . . . 0.0 110.355 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.38 -34.55 70.52 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.893 -1.129 . . . . 0.0 109.077 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.9 mmm -69.39 -41.64 76.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.38 -40.76 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.863 -1.148 . . . . 0.0 110.289 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.34 -47.8 19.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.794 -1.191 . . . . 0.0 111.856 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -76.56 -42.35 43.11 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.879 -1.138 . . . . 0.0 112.617 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -97.13 -27.97 14.33 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.655 -1.278 . . . . 0.0 110.625 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.19 165.8 23.89 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -70.82 -41.84 71.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.524 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -70.54 -44.55 67.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.895 -1.128 . . . . 0.0 111.042 -178.775 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 20.3 tptp -72.94 -37.86 66.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.78 -1.2 . . . . 0.0 109.826 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.71 73.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.061 -1.024 . . . . 0.0 109.863 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -63.51 -43.25 97.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 108.711 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.16 81.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.0 109.754 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.7 mtp -76.07 -32.62 59.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.258 -0.901 . . . . 0.0 109.545 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -68.5 -42.92 77.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 110.139 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -75.67 -48.92 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.198 -0.939 . . . . 0.0 110.19 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -59.17 -29.57 67.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.0 110.646 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.0 mt -72.05 -42.78 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 O-C-N 120.53 -1.356 . . . . 0.0 109.625 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 3.9 m-85 -56.35 -46.69 79.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.336 -1.477 . . . . 0.0 109.891 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.9 -27.95 67.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.908 -1.12 . . . . 0.0 109.655 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.186 -0.946 . . . . 0.0 110.283 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.418 HD12 ' HE ' ' A' ' 78' ' ' ARG . 1.7 pt -86.58 20.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.092 -1.005 . . . . 0.0 109.019 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 55.84 82.94 0.1 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.537 0.684 . . . . 0.0 110.574 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH2' ' OD2' ' A' ' 19' ' ' ASP . 53.0 mtt-85 -152.05 30.85 0.56 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.467 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -47.63 -28.53 2.4 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.519 . . . . 0.0 111.423 -179.309 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.08 -53.53 48.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.881 -1.137 . . . . 0.0 110.404 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -26.38 62.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.067 -1.021 . . . . 0.0 109.636 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -67.44 -36.25 80.82 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.688 -1.257 . . . . 0.0 107.997 179.346 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -60.45 -40.66 91.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 108.924 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.31 -47.25 35.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.337 -0.852 . . . . 0.0 109.329 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 88' ' ' ASP . . . -56.83 -28.61 61.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.965 . . . . 0.0 109.471 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -66.39 -27.15 67.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.016 -1.052 . . . . 0.0 109.398 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -80.5 -27.37 37.75 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 110.646 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -78.41 -3.03 41.24 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.798 -1.189 . . . . 0.0 109.393 -179.295 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.23 116.48 16.17 Favored Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 109.394 -1.041 . . . . 0.0 109.394 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -69.97 -32.62 70.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.441 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 1.6 mpt_? -55.82 -37.82 69.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.325 -0.859 . . . . 0.0 109.308 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 t -65.74 -30.81 71.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.363 -0.836 . . . . 0.0 109.135 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -73.77 -51.89 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.426 -0.796 . . . . 0.0 110.025 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.22 -36.14 81.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.75 -1.219 . . . . 0.0 109.424 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.66 83.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.103 -0.998 . . . . 0.0 108.76 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.23 -33.68 67.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.094 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 27.9 m-85 -77.33 -55.75 5.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.209 -0.932 . . . . 0.0 110.482 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.73 -26.2 68.57 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.032 -1.043 . . . . 0.0 109.215 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -81.35 -24.52 37.03 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.488 -0.757 . . . . 0.0 109.959 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.61 -3.75 56.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.938 -1.101 . . . . 0.0 110.594 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.09 165.42 16.63 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.488 -1.383 . . . . 0.0 109.272 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -65.43 149.62 49.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.433 -0.792 . . . . 0.0 109.67 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -57.2 -45.52 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.05 -33.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 108.988 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.33 -29.2 62.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.964 -1.085 . . . . 0.0 108.943 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.27 -43.39 98.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.334 -0.853 . . . . 0.0 109.087 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -67.11 -34.06 76.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.0 109.779 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.95 -27.77 66.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 0.0 109.221 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.403 ' CE2' HG21 ' A' ' 72' ' ' ILE . 34.9 t80 -71.09 -42.69 69.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.998 -1.064 . . . . 0.0 110.101 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.32 -46.42 55.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.922 -1.111 . . . . 0.0 109.899 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ttt -56.63 -36.24 69.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.137 -0.977 . . . . 0.0 109.777 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -69.53 -40.5 76.84 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.164 -0.96 . . . . 0.0 109.536 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -74.29 -33.42 63.24 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.068 -1.02 . . . . 0.0 108.911 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.4 -35.23 80.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 0.0 109.666 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -99.58 36.86 1.69 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.242 -0.912 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.7 t80 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 109.686 -0.928 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.3 mp -71.62 119.4 73.82 Favored Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.15 140.71 87.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.939 1.014 . . . . 0.0 109.669 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -64.26 -31.99 73.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.56 96.51 Favored Glycine 0 N--CA 1.504 3.217 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.131 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -75.96 -44.58 39.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.716 -1.461 . . . . 0.0 109.856 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.2 m -65.61 -47.95 73.95 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.28 -0.887 . . . . 0.0 110.983 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.0 -44.37 91.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.709 -1.245 . . . . 0.0 109.631 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -74.33 -18.44 60.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.884 -1.135 . . . . 0.0 109.748 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.05 119.5 10.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.027 -1.045 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.34 179.68 7.56 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -54.02 -45.11 71.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 110.309 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.23 -48.98 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.988 -1.07 . . . . 0.0 109.378 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -37.42 85.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 110.281 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.8 mt -55.92 -51.15 68.64 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.856 -1.153 . . . . 0.0 109.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -28.7 69.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.537 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 m -70.45 -37.44 74.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.305 -0.872 . . . . 0.0 110.37 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.18 -35.22 68.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.009 -1.057 . . . . 0.0 109.371 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.8 tpp -64.44 -42.13 96.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.231 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.45 -37.6 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.963 -1.085 . . . . 0.0 110.63 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -75.67 -51.63 12.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.82 -1.175 . . . . 0.0 111.501 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.25 -42.61 59.41 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.734 -1.229 . . . . 0.0 111.964 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -94.48 -27.95 15.72 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.514 -1.366 . . . . 0.0 110.548 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.85 155.14 11.42 Favored Glycine 0 N--CA 1.506 3.309 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -69.12 -40.1 78.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -1.171 . . . . 0.0 109.594 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 23.9 mp0 -71.52 -46.77 58.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.176 -0.952 . . . . 0.0 110.178 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.24 -37.66 81.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.031 -1.043 . . . . 0.0 109.317 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.51 68.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.965 -1.085 . . . . 0.0 109.622 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' CD1' ' A' ' 66' ' ' TRP . 36.4 m0 -61.36 -35.11 76.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 0.0 109.237 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.49 81.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.295 -0.878 . . . . 0.0 109.573 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 43.9 mmm -76.12 -32.37 59.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.142 -0.974 . . . . 0.0 108.672 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -67.13 -44.24 80.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.418 -0.801 . . . . 0.0 110.619 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 71' ' ' TRP . 35.9 m -71.9 -39.34 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 120.985 -1.072 . . . . 0.0 110.414 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.409 ' N ' HG23 ' A' ' 70' ' ' VAL . 76.7 t90 -65.29 -30.1 70.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.048 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.403 HG21 ' CE2' ' A' ' 23' ' ' PHE . 5.5 mm -72.82 -38.34 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 120.725 -1.234 . . . . 0.0 109.217 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 4.5 m-30 -56.93 -47.15 81.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.539 -1.35 . . . . 0.0 109.955 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.96 68.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.93 -1.106 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -66.69 -46.82 74.37 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.193 -0.942 . . . . 0.0 110.471 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.53 19.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.052 -1.03 . . . . 0.0 108.743 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' H ' ' C ' ' A' ' 75' ' ' ALA . 1.9 m120 55.44 66.98 1.08 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 78' ' ' ARG . 24.9 mtt-85 -142.83 39.96 1.51 Allowed 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -47.64 -29.09 2.7 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.48 -34.09 70.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.911 -1.118 . . . . 0.0 109.295 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.69 -26.11 66.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 109.711 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.64 -37.76 67.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.763 -1.211 . . . . 0.0 108.954 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.06 -47.49 84.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.097 -1.002 . . . . 0.0 109.546 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -75.14 -49.06 20.75 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.089 -1.007 . . . . 0.0 109.963 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.14 65.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 0.0 110.323 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -54.95 -27.46 43.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.345 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -84.74 -15.46 45.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.797 -1.189 . . . . 0.0 110.786 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 t70 -95.32 -12.72 25.63 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.964 -1.085 . . . . 0.0 110.634 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -59.5 116.13 15.22 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 108.355 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 CA--C 1.539 0.768 0 N-CA-C 109.317 -1.07 . . . . 0.0 109.317 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -70.63 -16.19 62.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.25 -51.08 71.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.381 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.18 -26.07 67.23 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -69.95 -48.85 56.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 110.031 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -60.85 -40.94 94.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.993 -1.067 . . . . 0.0 109.607 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.89 79.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 108.659 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -57.92 -33.53 68.88 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.454 -0.779 . . . . 0.0 109.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.74 -54.61 6.16 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.007 -1.058 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.75 -26.9 68.93 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.884 -1.135 . . . . 0.0 108.964 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -81.69 -24.54 36.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -79.36 -3.48 46.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.037 -1.04 . . . . 0.0 110.511 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 157.12 20.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.572 -1.33 . . . . 0.0 109.34 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 9.2 mp0 -67.62 156.91 35.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.485 -0.76 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.77 -40.07 82.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 19' ' ' ASP . 14.0 p -61.07 -40.52 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.066 -1.021 . . . . 0.0 109.679 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' VAL . 8.0 t70 -72.96 -29.36 63.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.029 -1.044 . . . . 0.0 109.506 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.01 -36.75 77.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.144 -0.972 . . . . 0.0 109.335 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.31 -39.22 59.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.163 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.0 -28.3 66.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.077 -1.014 . . . . 0.0 109.431 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.38 -47.85 38.76 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -70.2 -45.79 65.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.893 -1.129 . . . . 0.0 109.113 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.3 ttt -52.56 -33.76 47.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.882 . . . . 0.0 109.604 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD1' ' C ' ' A' ' 26' ' ' HIS . 2.6 t-80 -66.9 -42.47 85.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.364 -0.835 . . . . 0.0 109.207 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.91 -32.01 63.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.062 -1.024 . . . . 0.0 109.607 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.39 -14.21 60.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.033 . . . . 0.0 109.966 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.55 48.36 1.64 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.279 -0.888 . . . . 0.0 109.89 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.0 108.431 179.328 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 CA--C 1.538 0.716 0 N-CA-C 109.692 -0.926 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.04 120.19 80.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -53.0 143.86 48.07 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 119.951 1.018 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -64.74 -45.77 85.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.189 -0.944 . . . . 0.0 109.85 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.91 -24.74 65.08 Favored Glycine 0 N--CA 1.504 3.222 0 C-N-CA 119.651 -1.262 . . . . 0.0 109.99 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -72.92 -52.07 16.09 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.037 -1.273 . . . . 0.0 110.095 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 93.4 m -76.12 -51.23 12.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.058 -1.026 . . . . 0.0 110.847 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.29 -44.08 68.0 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.841 -1.162 . . . . 0.0 110.586 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.13 -9.84 59.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.582 -1.323 . . . . 0.0 109.521 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 44' ' ' THR . . . -78.18 128.09 33.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.22 171.31 15.24 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -51.81 -49.88 61.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.47 -49.06 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 120.9 -1.125 . . . . 0.0 108.969 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.14 -34.51 73.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.245 -0.909 . . . . 0.0 109.843 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.14 -51.18 65.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.897 -1.127 . . . . 0.0 109.037 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.75 68.97 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.164 -0.96 . . . . 0.0 110.103 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 m -76.9 -35.62 57.26 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.945 -1.097 . . . . 0.0 110.704 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.13 -34.06 68.27 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.814 -1.179 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.4 mtp -68.96 -42.17 77.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.402 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.7 -39.51 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.99 -39.98 48.42 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.892 -1.13 . . . . 0.0 111.486 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -81.95 -42.4 19.49 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.83 -1.169 . . . . 0.0 112.326 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.96 -27.14 15.81 Favored 'General case' 0 N--CA 1.51 2.542 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.82 169.19 28.57 Favored Glycine 0 N--CA 1.502 3.093 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -71.07 -35.6 71.94 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.404 -1.057 . . . . 0.0 110.867 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.72 -52.76 16.14 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.027 -1.046 . . . . 0.0 110.926 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -73.23 -38.79 65.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.864 -1.147 . . . . 0.0 110.916 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.46 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.866 -1.146 . . . . 0.0 110.971 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.48 -35.08 76.66 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.941 -1.1 . . . . 0.0 108.786 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.26 81.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.081 -1.012 . . . . 0.0 108.966 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.6 mmm -76.03 -42.57 47.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.371 -0.831 . . . . 0.0 109.113 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -56.63 -45.69 81.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.023 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.41 -45.28 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.154 -0.966 . . . . 0.0 110.238 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -60.98 -31.05 70.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.03 -1.044 . . . . 0.0 110.486 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.2 mt -72.87 -37.28 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.369 0 O-C-N 120.585 -1.322 . . . . 0.0 109.463 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-30 -56.85 -46.92 81.42 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.488 -1.382 . . . . 0.0 109.668 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.46 -27.98 67.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.97 -1.081 . . . . 0.0 109.868 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.33 -47.1 77.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.145 -0.972 . . . . 0.0 109.967 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.5 19.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.015 -1.053 . . . . 0.0 108.193 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 t30 56.67 11.37 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.541 -0.724 . . . . 0.0 109.899 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.95 51.83 0.52 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.113 -0.992 . . . . 0.0 108.985 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -62.47 -29.22 70.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.23 -48.66 80.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.928 -1.107 . . . . 0.0 110.159 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.95 -25.91 61.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 110.05 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -74.41 -37.92 63.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.25 -43.88 92.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -74.89 -47.16 31.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.288 -0.883 . . . . 0.0 109.52 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.79 68.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.621 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.6 -27.3 67.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -82.41 -31.86 29.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.789 -1.194 . . . . 0.0 110.452 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -98.99 -10.05 23.18 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.14 -0.975 . . . . 0.0 110.462 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -76.66 124.46 87.76 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.747 -1.221 . . . . 0.0 108.282 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.54 0.784 0 N-CA-C 109.19 -1.119 . . . . 0.0 109.19 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.0 m -64.47 -20.62 66.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.887 . . . . 0.0 109.162 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -68.57 -50.83 48.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.603 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -72.81 -33.89 66.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.23 -0.919 . . . . 0.0 109.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.88 -45.05 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.258 -0.901 . . . . 0.0 110.286 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -72.86 -37.16 67.46 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.947 -1.095 . . . . 0.0 109.338 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.18 89.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.988 -1.07 . . . . 0.0 108.946 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -63.14 -32.6 74.03 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.467 -0.771 . . . . 0.0 109.2 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -54.61 40.09 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 109.229 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.4 -25.21 59.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.101 -0.999 . . . . 0.0 108.99 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 15.5 mm-40 -80.75 -21.49 41.04 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.234 -0.916 . . . . 0.0 108.933 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -69.98 0.27 6.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.0 109.764 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 mt -89.6 167.32 13.04 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.04 -1.038 . . . . 0.0 109.371 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.46 152.63 40.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.305 -0.872 . . . . 0.0 109.943 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.0 -43.72 73.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.5 -32.12 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 108.803 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.42 -29.54 62.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.028 -1.045 . . . . 0.0 109.817 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.04 -38.06 89.66 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.944 -1.098 . . . . 0.0 108.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.64 -41.1 55.02 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.179 -0.951 . . . . 0.0 110.833 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 97.0 mttt -75.29 -31.02 60.57 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.886 -1.134 . . . . 0.0 110.533 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -69.88 -47.58 62.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.753 -1.217 . . . . 0.0 109.706 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -63.73 -48.12 78.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.016 -1.052 . . . . 0.0 109.949 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.398 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -62.03 -33.08 73.7 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.942 -1.099 . . . . 0.0 109.938 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.46 -32.32 71.29 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.929 -1.107 . . . . 0.0 109.973 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 28' ' ' GLU . 4.1 mp0 -82.91 -17.24 44.38 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.916 -1.115 . . . . 0.0 109.59 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.97 -16.75 63.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.656 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 120.801 -1.187 . . . . 0.0 109.628 -179.537 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 C--O 1.215 -0.664 0 N-CA-C 109.582 -0.968 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.4 mm? -74.08 119.11 74.64 Favored Pre-proline 0 N--CA 1.49 1.541 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.92 139.78 79.03 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 CA-C-N 119.945 1.016 . . . . 0.0 109.679 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -61.56 -50.47 72.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.213 -0.929 . . . . 0.0 109.698 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.42 -26.34 44.27 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -75.05 -40.0 60.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.29 . . . . 0.0 109.659 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -68.45 -44.29 75.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 0.0 109.907 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.28 -40.35 81.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.079 -1.013 . . . . 0.0 109.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -74.02 -17.66 60.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.825 -1.172 . . . . 0.0 109.314 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.89 132.82 38.11 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.189 -0.945 . . . . 0.0 109.525 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.35 173.69 12.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' OE2' ' A' ' 13' ' ' GLU . 32.7 m170 -58.29 -49.44 77.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.84 -46.12 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.054 -1.029 . . . . 0.0 108.497 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.47 -36.81 76.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.299 -0.876 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.73 -51.43 63.33 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.086 . . . . 0.0 109.022 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.49 65.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 0.0 109.863 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.5 m -72.46 -40.09 67.26 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.011 -1.056 . . . . 0.0 110.99 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.81 -36.54 73.02 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.67 -1.269 . . . . 0.0 109.147 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 68.0 mmm -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.347 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -78.26 -35.6 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.936 -1.103 . . . . 0.0 110.348 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -76.78 -52.02 10.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.709 -1.244 . . . . 0.0 111.846 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.95 -42.26 63.59 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.69 -1.256 . . . . 0.0 112.222 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.85 -28.05 14.9 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.549 -1.344 . . . . 0.0 111.203 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 165.97 29.05 Favored Glycine 0 N--CA 1.505 3.265 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.97 -33.23 70.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -1.191 . . . . 0.0 110.601 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -72.1 -53.27 13.28 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.003 -1.061 . . . . 0.0 110.505 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -71.45 -39.1 71.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.954 -1.091 . . . . 0.0 110.147 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.35 68.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.883 -1.135 . . . . 0.0 109.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -58.98 -45.91 89.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.34 75.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 109.837 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 mmm -75.44 -32.63 60.74 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.162 -0.961 . . . . 0.0 109.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.48 -45.99 64.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.225 -0.922 . . . . 0.0 110.43 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 71' ' ' TRP . 17.3 m -75.85 -47.02 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 120.999 -1.063 . . . . 0.0 110.673 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.548 ' N ' HG23 ' A' ' 70' ' ' VAL . 74.8 t90 -63.56 -29.4 70.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.034 -1.041 . . . . 0.0 110.239 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.25 -40.12 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.691 -1.256 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-85 -56.66 -46.56 80.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.451 -1.406 . . . . 0.0 109.763 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -27.71 58.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.849 -1.157 . . . . 0.0 109.495 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -70.82 -42.38 70.32 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 110.39 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 78' ' ' ARG . 1.1 mt -73.26 19.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.977 -1.077 . . . . 0.0 109.353 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 75' ' ' ALA . 70.0 m-20 59.07 1.63 0.22 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 76' ' ' ILE . 38.4 mtt-85 -81.65 57.92 3.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.034 -1.041 . . . . 0.0 108.522 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -56.7 -29.44 62.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.413 -0.805 . . . . 0.0 110.3 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.3 -41.72 69.26 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.981 -1.075 . . . . 0.0 109.914 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -65.75 -26.13 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.317 -0.864 . . . . 0.0 109.291 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -67.76 -33.54 75.05 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.678 -1.263 . . . . 0.0 109.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.04 -43.2 68.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.41 62.64 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.093 -1.004 . . . . 0.0 108.899 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.09 63.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.24 -0.912 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.37 -27.46 64.34 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.223 -0.923 . . . . 0.0 110.023 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -84.41 -28.19 27.07 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.861 -1.15 . . . . 0.0 110.484 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.2 -12.31 50.11 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.952 -1.093 . . . . 0.0 110.145 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -55.12 109.46 1.61 Allowed Pre-proline 0 N--CA 1.505 2.28 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.248 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 CA--C 1.538 0.689 0 N-CA-C 109.651 -0.942 . . . . 0.0 109.651 -179.661 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -63.44 -31.37 72.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.905 . . . . 0.0 109.388 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.469 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 70.4 ttt180 -52.62 -37.35 58.22 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.867 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -71.87 -29.41 64.33 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.358 -0.839 . . . . 0.0 109.709 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.23 -52.93 14.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.027 -1.046 . . . . 0.0 109.355 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 57' ' ' ILE . 34.2 mt -53.72 -33.1 54.53 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.899 -1.125 . . . . 0.0 109.653 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.34 72.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.646 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.97 -34.33 62.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 110.476 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -77.36 -50.77 12.06 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.825 -1.172 . . . . 0.0 109.633 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.83 -26.45 65.81 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.135 -0.978 . . . . 0.0 108.661 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.19 -27.7 35.24 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.225 -0.922 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.25 -1.45 4.53 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.168 -0.957 . . . . 0.0 109.605 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.12 155.45 25.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.206 -0.934 . . . . 0.0 108.758 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.48 161.37 27.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.96 -39.77 75.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.15 -39.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.835 -1.166 . . . . 0.0 110.005 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 7.9 p30 -71.96 -28.14 63.24 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.631 -1.293 . . . . 0.0 108.731 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.507 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 34.3 tp -56.08 -50.98 69.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.297 -0.877 . . . . 0.0 109.114 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -60.62 -40.04 90.41 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.537 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' NZ ' ' NE2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -67.31 -27.12 66.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.246 -0.909 . . . . 0.0 109.872 -179.425 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.428 ' CE2' HG21 ' A' ' 72' ' ' ILE . 32.4 t80 -66.63 -43.11 85.59 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.958 -1.089 . . . . 0.0 110.287 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.578 ' HZ1' HD22 ' A' ' 52' ' ' LEU . 3.8 mptp? -65.64 -46.2 80.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.958 -1.089 . . . . 0.0 109.149 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -57.29 -34.3 68.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.898 . . . . 0.0 109.86 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.555 ' NE2' ' NZ ' ' A' ' 22' ' ' LYS . 46.7 m-70 -69.54 -43.01 73.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.72 -36.61 78.65 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.842 -1.161 . . . . 0.0 108.907 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -73.76 -27.44 61.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.095 -1.003 . . . . 0.0 109.341 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.52 8.98 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.338 -0.851 . . . . 0.0 109.996 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 t80 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.031 -1.043 . . . . 0.0 108.308 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 CA--C 1.538 0.699 0 N-CA-C 109.635 -0.948 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.0 mp -71.76 119.31 73.46 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 138.33 81.91 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.903 1.001 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.27 -33.75 76.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 109.774 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 -41.58 97.5 Favored Glycine 0 N--CA 1.504 3.219 0 C-N-CA 119.6 -1.286 . . . . 0.0 109.971 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -75.7 -33.94 60.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.795 -1.415 . . . . 0.0 109.67 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.0 m -70.2 -43.04 71.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.257 -0.902 . . . . 0.0 110.424 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -42.53 66.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.823 -1.173 . . . . 0.0 109.698 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -70.68 -17.01 62.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.884 -1.135 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.06 130.64 43.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 109.431 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.19 170.5 16.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.331 -0.856 . . . . 0.0 108.763 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -55.06 -37.47 66.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.35 -52.4 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.122 -0.986 . . . . 0.0 108.806 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -35.18 72.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 0.0 109.687 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.578 HD22 ' HZ1' ' A' ' 24' ' ' LYS . 7.4 tp -59.03 -51.3 70.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.018 -1.051 . . . . 0.0 109.606 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.176 -0.953 . . . . 0.0 109.783 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.469 ' OG1' ' NH2' ' A' ' 5' ' ' ARG . 88.2 m -70.48 -32.3 69.76 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.092 -1.005 . . . . 0.0 109.447 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.29 -34.23 70.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.035 -1.041 . . . . 0.0 108.555 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mmm -71.06 -43.71 67.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 109.612 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 8' ' ' LEU . 65.6 mt -77.87 -32.87 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 120.793 -1.192 . . . . 0.0 110.295 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.69 -52.16 10.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.706 -1.246 . . . . 0.0 112.094 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -81.72 -42.24 20.14 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.632 -1.293 . . . . 0.0 112.563 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -93.21 -27.68 16.73 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.388 -1.445 . . . . 0.0 110.748 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.74 169.67 32.59 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 8.3 tp10 -71.05 -34.77 71.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.171 -1.194 . . . . 0.0 110.423 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.37 -53.01 21.61 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.076 -1.015 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -73.44 -36.62 65.94 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.86 -1.15 . . . . 0.0 110.193 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.47 36.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.789 -1.195 . . . . 0.0 109.825 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.458 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 40.7 m0 -60.15 -38.09 82.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.29 83.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -0.935 . . . . 0.0 109.355 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 13.5 tpp -74.97 -32.22 61.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.267 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.18 69.59 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.836 . . . . 0.0 110.804 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 71' ' ' TRP . 25.4 m -75.68 -43.38 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 120.953 -1.092 . . . . 0.0 110.75 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.49 ' N ' HG23 ' A' ' 70' ' ' VAL . 82.3 t90 -63.38 -30.19 71.37 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.938 -1.101 . . . . 0.0 110.229 -178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 23' ' ' PHE . 34.7 mt -73.1 -41.01 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.693 -1.254 . . . . 0.0 109.758 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -56.04 -46.81 78.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.492 -1.38 . . . . 0.0 109.828 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.71 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.877 -1.139 . . . . 0.0 109.741 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.08 -47.14 53.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.093 -1.004 . . . . 0.0 110.613 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 pt -84.9 20.37 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.976 -1.077 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 56.94 87.71 0.06 Allowed 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.684 0.754 . . . . 0.0 109.601 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -168.26 32.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -47.41 -27.85 1.86 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.892 -0.505 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.3 -24.82 8.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.759 -1.213 . . . . 0.0 109.905 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -78.08 -26.3 48.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.299 -0.876 . . . . 0.0 108.793 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -69.84 -34.04 73.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.707 -1.246 . . . . 0.0 108.684 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.92 -41.43 67.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.481 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.56 -52.79 10.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 109.798 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.4 -38.94 66.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -70.35 -27.54 64.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.214 -0.929 . . . . 0.0 109.544 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -78.77 -29.3 44.99 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.959 -1.088 . . . . 0.0 109.559 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.83 -2.86 52.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.236 -0.915 . . . . 0.0 109.585 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.99 114.33 7.35 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.112 -0.993 . . . . 0.0 108.827 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 CA-C-N 119.769 0.953 . . . . 0.0 109.626 -179.679 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.42 97.46 0.69 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.265 -0.897 . . . . 0.0 109.419 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m -70.81 131.94 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.216 -0.927 . . . . 0.0 109.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -74.0 -23.57 59.46 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.23 -0.919 . . . . 0.0 109.189 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.66 -40.82 72.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.92 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.4 m -69.94 -27.81 65.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.809 . . . . 0.0 109.42 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -70.95 -52.03 22.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.92 . . . . 0.0 110.056 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.91 -33.31 70.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.93 -1.106 . . . . 0.0 109.549 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.05 84.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.97 . . . . 0.0 109.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.79 -33.25 75.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 109.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -72.73 -53.08 12.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.038 -1.039 . . . . 0.0 109.864 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.28 -27.3 67.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.88 -1.137 . . . . 0.0 108.739 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -81.93 -35.16 29.41 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.188 -0.945 . . . . 0.0 109.48 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.88 -2.43 15.03 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.015 -1.053 . . . . 0.0 110.42 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.38 161.62 20.3 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.743 -1.223 . . . . 0.0 108.352 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.26 155.45 35.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.282 -0.887 . . . . 0.0 109.915 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.79 -47.36 83.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 109.864 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.41 -32.27 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 108.892 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -72.56 -29.08 63.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.012 -1.055 . . . . 0.0 108.547 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.42 -46.0 91.96 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.16 -32.71 74.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.431 -0.793 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.74 -28.02 62.38 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.999 -1.063 . . . . 0.0 109.557 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.89 -41.38 78.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.98 -1.075 . . . . 0.0 109.785 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.3 -47.4 50.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.108 -0.995 . . . . 0.0 109.932 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.3 ttt -58.61 -39.34 80.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.707 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.168 -0.958 . . . . 0.0 109.525 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.12 -48.45 43.63 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.229 -0.919 . . . . 0.0 109.465 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.86 -31.75 72.88 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.219 -0.926 . . . . 0.0 109.584 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.78 22.47 3.09 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 0.0 109.737 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 77.0 t80 -63.84 118.96 50.42 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.13 -0.981 . . . . 0.0 108.878 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 9.3 Cg_endo -68.76 164.67 32.43 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 N-CA-C 109.227 -1.105 . . . . 0.0 109.227 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -65.17 142.87 75.65 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 121.006 1.138 . . . . 0.0 109.302 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -111.43 -44.89 3.46 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -170.58 74.62 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.52 13.23 58.22 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.87 150.53 23.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 0.0 109.559 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' ILE . 14.3 tt -83.79 129.76 58.06 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.316 -0.865 . . . . 0.0 108.745 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -67.01 137.89 46.0 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 N-CA-C 109.135 -1.14 . . . . 0.0 109.135 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.5 mp -73.25 119.4 75.55 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.92 133.57 58.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 CA-C-N 119.93 1.011 . . . . 0.0 109.611 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -64.85 -46.15 83.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.71 -31.85 46.29 Favored Glycine 0 N--CA 1.505 3.269 0 C-N-CA 119.82 -1.181 . . . . 0.0 110.206 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' N ' ' OE1' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -75.17 -51.72 12.69 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.866 -1.373 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.6 m -63.8 -54.32 36.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.15 -0.969 . . . . 0.0 110.082 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.35 -39.88 76.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.049 -1.032 . . . . 0.0 109.636 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -76.71 -18.07 58.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.795 -1.191 . . . . 0.0 109.494 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.53 131.52 39.02 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.06 -1.025 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.628 ' OD2' ' CE1' ' A' ' 49' ' ' HIS . 38.9 t70 -80.03 179.67 7.49 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.336 -0.853 . . . . 0.0 109.1 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.628 ' CE1' ' OD2' ' A' ' 48' ' ' ASP . 3.0 p-80 -59.82 -46.62 88.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.082 -1.011 . . . . 0.0 109.193 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 49' ' ' HIS . 96.7 t -68.62 -51.26 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.962 -1.086 . . . . 0.0 108.804 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.57 -37.08 72.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -54.1 -44.46 71.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.988 -1.07 . . . . 0.0 109.294 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.62 70.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.177 -0.952 . . . . 0.0 109.561 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -69.54 -37.29 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 110.38 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.3 mp -71.24 -35.21 71.36 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.779 -1.201 . . . . 0.0 108.865 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.6 mtp -71.39 -42.76 67.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.202 -0.936 . . . . 0.0 109.737 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.1 mt -77.72 -37.16 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 120.78 -1.2 . . . . 0.0 110.01 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.14 -47.74 19.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.881 -1.137 . . . . 0.0 111.834 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -84.15 -42.61 15.83 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.77 -1.206 . . . . 0.0 112.844 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -94.87 -27.23 15.83 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.563 -1.336 . . . . 0.0 110.603 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.69 164.75 29.26 Favored Glycine 0 N--CA 1.505 3.24 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' OE1' ' NE1' ' A' ' 66' ' ' TRP . 7.4 tp10 -71.13 -33.76 70.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -1.101 . . . . 0.0 110.07 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.21 -52.88 16.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.123 -0.985 . . . . 0.0 110.301 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -71.66 -39.2 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.996 -1.065 . . . . 0.0 110.485 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.24 75.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.797 -1.19 . . . . 0.0 109.856 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.457 ' NE1' ' OE1' ' A' ' 62' ' ' GLU . 30.3 m0 -61.4 -40.3 93.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.149 -0.969 . . . . 0.0 109.084 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.05 75.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.633 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mmm -76.28 -32.5 58.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.214 -0.929 . . . . 0.0 109.171 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.95 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.298 -0.876 . . . . 0.0 110.345 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 71' ' ' TRP . 15.0 p -75.69 -40.24 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.06 -1.025 . . . . 0.0 110.494 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' VAL . 79.8 t90 -65.71 -30.06 70.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.047 -1.033 . . . . 0.0 110.218 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.95 -40.41 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 120.618 -1.301 . . . . 0.0 109.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -56.86 -47.03 81.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.397 -1.44 . . . . 0.0 109.709 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.34 -27.99 66.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.957 -1.089 . . . . 0.0 109.679 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.66 -46.79 68.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 110.281 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.4 pt -83.84 20.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.052 -1.03 . . . . 0.0 109.623 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 54.95 74.48 0.36 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.462 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.61 38.13 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -47.06 -36.4 8.06 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.734 -0.604 . . . . 0.0 110.999 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -58.69 -33.37 70.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.824 -1.172 . . . . 0.0 109.269 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.9 -26.03 64.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.828 . . . . 0.0 109.846 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.2 t80 -72.88 -35.49 67.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 108.847 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -64.27 -44.97 90.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.091 -1.006 . . . . 0.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -75.0 -43.29 54.73 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.121 -0.987 . . . . 0.0 109.923 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.85 72.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.153 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.4 -27.35 67.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.039 -1.038 . . . . 0.0 110.076 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -86.31 -28.21 23.85 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.794 -1.191 . . . . 0.0 110.61 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.93 -10.43 33.8 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.962 -1.086 . . . . 0.0 110.333 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.456 ' OE2' ' CE3' ' A' ' 66' ' ' TRP . 3.0 mm-40 -72.47 118.07 64.44 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.83 -1.169 . . . . 0.0 108.207 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -60.15 157.01 36.68 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 N-CA-C 109.487 -1.005 . . . . 0.0 109.487 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.001 -1.0 . . . . 0.0 108.946 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.24 0.543 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.55 97.48 0.68 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.268 -0.895 . . . . 0.0 109.411 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 m -70.07 131.86 44.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.2 -0.938 . . . . 0.0 109.171 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -83.09 -28.02 29.81 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 109.45 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.266 -0.896 . . . . 0.0 109.668 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 7' ' ' LYS . 30.1 p -63.21 -38.36 90.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.397 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 57.6 mttp -60.62 -50.14 74.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 109.826 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.17 -33.13 51.21 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.95 -1.094 . . . . 0.0 109.829 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.62 84.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 109.592 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -59.1 -34.04 71.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.152 -0.968 . . . . 0.0 109.931 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 47.6 m-85 -71.87 -51.74 20.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.782 -1.199 . . . . 0.0 110.049 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.0 -26.49 65.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.008 -1.058 . . . . 0.0 109.188 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.69 -31.36 32.21 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.236 -0.915 . . . . 0.0 109.958 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.06 -2.68 4.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.014 -1.053 . . . . 0.0 109.821 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -93.3 160.96 14.59 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.988 -1.07 . . . . 0.0 109.103 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 11.4 mp0 -65.54 156.12 33.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.874 . . . . 0.0 109.436 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -57.74 -47.62 81.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.877 . . . . 0.0 109.712 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.07 -38.18 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.28 -29.4 69.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.064 -1.023 . . . . 0.0 108.515 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.07 -33.32 75.53 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' A' ' 25' ' ' MET . 55.7 tttm -70.96 -35.37 72.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.12 -28.38 61.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 72' ' ' ILE . 25.8 t80 -70.11 -42.14 73.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.911 -1.118 . . . . 0.0 109.696 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -68.29 -41.82 80.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.041 -1.037 . . . . 0.0 109.771 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.454 ' SD ' ' NZ ' ' A' ' 21' ' ' LYS . 15.1 mtt -64.6 -33.79 76.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.195 -0.94 . . . . 0.0 108.591 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.34 -38.59 84.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.218 -0.926 . . . . 0.0 109.317 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.93 -37.62 84.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 0.0 109.365 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -71.66 -30.8 66.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 109.824 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.25 32.21 0.28 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.14 -0.975 . . . . 0.0 109.887 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 141.56 70.55 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -61.25 166.06 11.68 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 109.216 -1.109 . . . . 0.0 109.216 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.95 133.02 45.06 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.001 1.134 . . . . 0.0 109.239 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -106.81 -35.36 6.98 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.567 -0.708 . . . . 0.0 109.431 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttm 55.24 55.44 7.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.324 -0.86 . . . . 0.0 109.247 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.68 -68.63 0.18 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.066 -1.613 . . . . 0.0 109.066 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -60.0 150.97 27.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.315 -1.109 . . . . 0.0 109.042 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 37' ' ' ILE . 16.8 tt -83.17 122.89 77.72 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.163 -0.961 . . . . 0.0 108.866 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -66.59 147.14 81.44 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.2 mm? -71.72 119.26 73.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.07 133.58 58.76 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 CA-C-N 119.977 1.027 . . . . 0.0 109.627 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.66 -42.84 95.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.333 -0.855 . . . . 0.0 109.519 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.08 -35.88 91.46 Favored Glycine 0 N--CA 1.503 3.123 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -75.62 -39.03 58.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.924 -1.339 . . . . 0.0 109.981 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -70.69 -46.37 63.28 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.478 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 2.1 pp20? -65.91 -40.36 91.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.866 -1.146 . . . . 0.0 109.508 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.7 tttp -72.04 -16.62 62.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.897 -1.127 . . . . 0.0 109.542 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.47 137.16 55.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 0.0 109.62 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 36.8 t70 -80.59 179.32 7.81 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.348 -0.845 . . . . 0.0 109.791 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.441 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.1 m80 -63.47 -49.11 74.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.915 . . . . 0.0 109.964 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.2 -35.13 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.979 -1.075 . . . . 0.0 108.753 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.58 -39.45 73.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.226 -0.922 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.48 -47.52 76.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.827 -1.171 . . . . 0.0 109.237 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.81 69.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.035 -1.041 . . . . 0.0 109.5 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.2 m -72.15 -32.59 67.04 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 109.916 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.39 70.36 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.917 -1.114 . . . . 0.0 108.684 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.4 mtp -67.92 -40.39 83.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 109.357 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.72 -34.87 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.831 -1.168 . . . . 0.0 109.925 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.24 -52.11 9.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.78 -1.2 . . . . 0.0 111.927 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -81.79 -42.4 19.77 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.737 -1.227 . . . . 0.0 112.768 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -93.23 -27.89 16.59 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.365 -1.459 . . . . 0.0 110.566 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.27 167.35 32.78 Favored Glycine 0 N--CA 1.503 3.152 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.86 -31.09 67.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.382 -1.07 . . . . 0.0 110.366 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -71.14 -52.83 17.04 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.113 -0.992 . . . . 0.0 110.506 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -73.5 -38.32 65.41 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.831 -1.168 . . . . 0.0 110.173 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.19 -51.72 61.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.202 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -61.51 -44.08 97.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.071 -1.018 . . . . 0.0 108.929 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.95 74.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.675 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtp -76.2 -32.57 59.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.26 76.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 71' ' ' TRP . 19.5 m -75.87 -41.78 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.064 -1.023 . . . . 0.0 110.407 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.469 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.5 t90 -65.75 -29.65 70.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.0 110.378 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.429 HG21 ' CE2' ' A' ' 23' ' ' PHE . 36.8 mt -72.46 -42.21 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 120.681 -1.262 . . . . 0.0 109.664 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.35 -46.83 79.81 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.388 -1.445 . . . . 0.0 109.54 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.82 67.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.871 -1.143 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.11 57.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.191 -0.943 . . . . 0.0 110.6 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.497 HD12 ' HE ' ' A' ' 78' ' ' ARG . 20.5 pt -83.64 19.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.876 -1.14 . . . . 0.0 109.584 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.99 71.46 0.51 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.665 -0.647 . . . . 0.0 110.496 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' HE ' HD12 ' A' ' 76' ' ' ILE . 16.7 mtt-85 -153.56 38.23 0.48 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.15 -28.99 43.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 110.153 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -56.41 -30.16 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.859 -1.15 . . . . 0.0 109.356 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -26.05 63.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.873 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.05 -37.68 66.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.684 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -44.67 95.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.12 -0.988 . . . . 0.0 109.188 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -74.92 -45.54 41.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 109.71 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.78 -30.24 43.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.235 -0.916 . . . . 0.0 109.529 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -70.39 -27.3 64.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 109.141 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 87' ' ' ARG . 3.9 ttt-85 -75.89 -27.73 57.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.913 -1.117 . . . . 0.0 109.635 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 20.8 t70 -91.64 -2.74 56.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.58 114.04 6.65 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.903 . . . . 0.0 109.145 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.6 154.16 61.79 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.275 -179.807 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.48 137.5 4.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.268 -0.895 . . . . 0.0 109.39 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m -69.95 131.96 45.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -42.73 57.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.203 -0.935 . . . . 0.0 108.555 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -54.75 -34.68 62.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.601 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.07 -24.66 51.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.484 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.95 -48.96 26.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.346 -0.846 . . . . 0.0 110.306 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 8' ' ' LEU . 11.2 mp -71.05 -33.39 70.23 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.937 -1.102 . . . . 0.0 109.463 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.84 79.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.98 -1.075 . . . . 0.0 109.3 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -68.72 -33.41 73.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.307 -0.871 . . . . 0.0 109.109 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.45 -55.3 16.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.546 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.68 -25.24 64.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.994 -1.066 . . . . 0.0 109.21 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -81.99 -32.32 30.69 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.232 -0.917 . . . . 0.0 110.804 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 37.7 p30 -66.95 -19.31 65.7 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.812 -1.18 . . . . 0.0 110.793 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 73.9 mt -73.9 164.35 26.75 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.929 -1.107 . . . . 0.0 109.42 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.3 mp0 -65.47 154.67 37.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.094 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -54.92 -45.58 74.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.37 -0.831 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.66 -32.58 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 15.5 t70 -69.69 -31.69 69.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.87 -30.64 71.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.844 -1.16 . . . . 0.0 107.878 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -73.65 -48.86 29.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.504 -0.748 . . . . 0.0 110.758 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -75.65 -33.84 60.46 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.791 -1.193 . . . . 0.0 110.692 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -68.84 -41.36 78.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.73 -1.231 . . . . 0.0 109.795 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -72.21 -41.4 66.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.059 -1.025 . . . . 0.0 109.517 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 29' ' ' ASP . 1.3 tmt? -67.69 -34.11 76.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 109.606 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.64 74.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.125 -0.985 . . . . 0.0 109.561 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.15 -44.55 75.77 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.094 -1.003 . . . . 0.0 108.652 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -65.78 -32.86 74.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' SD ' ' A' ' 25' ' ' MET . 2.4 m-20 -91.71 19.92 6.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.155 -0.965 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 71.9 t80 -72.36 119.18 73.42 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 120.983 -1.073 . . . . 0.0 108.705 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 9.4 Cg_endo -68.46 164.13 33.97 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -66.92 139.55 51.93 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 121.144 1.229 . . . . 0.0 109.471 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -111.06 -44.74 3.54 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -148.89 57.48 1.03 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.83 17.43 65.13 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -57.92 150.72 19.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.332 -1.099 . . . . 0.0 109.722 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -85.08 113.99 53.35 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.02 144.79 99.59 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 CA-C-N 120.066 1.059 . . . . 0.0 109.775 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.8 mp -71.73 120.26 78.99 Favored Pre-proline 0 N--CA 1.492 1.66 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.67 133.88 51.58 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 CA-C-N 119.907 1.003 . . . . 0.0 110.066 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.58 -49.21 72.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.423 -0.798 . . . . 0.0 110.052 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.54 -37.56 56.44 Favored Glycine 0 N--CA 1.506 3.306 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.349 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -75.19 -36.14 61.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.809 -1.407 . . . . 0.0 109.885 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -69.68 -47.05 64.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.057 -1.027 . . . . 0.0 110.052 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.22 -40.03 88.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.972 -1.08 . . . . 0.0 109.416 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -75.05 -14.75 60.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.868 -1.145 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.12 132.82 43.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.27 168.88 18.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.303 -0.873 . . . . 0.0 108.907 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -53.96 -49.32 69.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.53 -46.1 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.023 -1.048 . . . . 0.0 108.743 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.2 -36.08 78.92 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.208 -0.933 . . . . 0.0 109.7 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.18 -49.02 70.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.834 -1.166 . . . . 0.0 108.881 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.71 68.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.66 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.9 m -70.19 -35.25 73.82 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.027 -1.046 . . . . 0.0 110.314 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.81 -34.9 72.22 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.745 -1.222 . . . . 0.0 108.375 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.6 mtp -69.21 -43.22 74.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.252 -0.905 . . . . 0.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.11 -39.1 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 120.862 -1.149 . . . . 0.0 110.241 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.17 -42.69 36.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.74 -1.225 . . . . 0.0 111.615 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -80.98 -42.24 21.53 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.897 -1.127 . . . . 0.0 112.397 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 20.6 m120 -99.23 -27.08 13.96 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.748 -1.22 . . . . 0.0 110.864 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.52 164.77 29.46 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.68 -31.03 67.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.253 -1.145 . . . . 0.0 110.033 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 10.5 mp0 -69.88 -52.53 24.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.482 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 60' ' ' ASN . 32.0 mtmm -73.39 -41.19 63.65 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.967 -1.083 . . . . 0.0 110.035 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.06 68.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.775 -1.203 . . . . 0.0 109.688 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.469 ' CZ3' ' OE2' ' A' ' 89' ' ' GLU . 45.3 m0 -58.92 -43.01 91.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.15 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.59 82.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.126 -0.984 . . . . 0.0 109.773 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.3 mtp -76.02 -32.6 59.46 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.277 -0.89 . . . . 0.0 109.328 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -62.85 -37.84 88.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.86 -54.17 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.192 -0.943 . . . . 0.0 110.264 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -55.0 -29.97 58.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.814 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.3 mt -72.75 -41.01 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 120.573 -1.33 . . . . 0.0 109.815 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -57.04 -46.99 81.99 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.279 -1.513 . . . . 0.0 109.824 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -27.89 68.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.883 -1.136 . . . . 0.0 109.64 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -47.05 75.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 110.242 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 18.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.991 -1.068 . . . . 0.0 108.856 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 56.21 70.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 109.822 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 94.9 mtt180 -149.41 39.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.5 -28.79 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.59 -0.694 . . . . 0.0 110.405 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.74 -27.07 26.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.976 -1.077 . . . . 0.0 109.608 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.4 -26.6 61.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.38 -0.825 . . . . 0.0 109.021 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -72.55 -34.18 67.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.762 -1.211 . . . . 0.0 108.597 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -65.47 -44.37 87.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.182 -0.949 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -74.98 -42.59 57.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.0 109.625 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.79 53.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.375 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -69.74 -27.48 64.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.478 -0.764 . . . . 0.0 109.004 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -80.61 -29.64 36.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.99 -1.069 . . . . 0.0 109.913 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -98.0 -5.25 34.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' OE2' ' CZ3' ' A' ' 66' ' ' TRP . 20.2 tp10 -56.14 113.64 6.18 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.98 147.45 94.54 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 109.439 -1.024 . . . . 0.0 109.439 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.827 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.236 0.541 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.41 97.4 0.69 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.219 -0.926 . . . . 0.0 109.487 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -77.29 140.65 40.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.232 -0.918 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 m -61.45 -19.57 62.13 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 109.174 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -63.4 -38.8 92.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.943 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.4 m -74.35 -42.58 59.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -67.44 -52.06 44.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.064 -1.022 . . . . 0.0 109.611 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.75 -33.04 63.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.039 -1.038 . . . . 0.0 109.697 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.03 70.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.517 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 10' ' ' ARG . 15.8 mtt-85 -72.54 -33.05 66.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 34.1 m-85 -68.97 -53.29 21.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.148 -0.97 . . . . 0.0 109.343 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.59 -30.23 69.7 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' A' ' 15' ' ' LEU . 53.4 mt-10 -82.04 -24.17 35.47 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.56 -0.79 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.193 -0.942 . . . . 0.0 109.509 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 13' ' ' GLU . 53.8 mt -88.18 160.03 17.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.029 -1.044 . . . . 0.0 109.246 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.57 150.62 48.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 0.0 108.994 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -52.49 -47.59 66.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.146 -0.971 . . . . 0.0 110.007 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.093 -1.004 . . . . 0.0 109.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.15 -29.49 70.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.146 -0.972 . . . . 0.0 108.942 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.62 -36.49 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 0.0 109.529 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -58.29 -41.77 85.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.237 -0.915 . . . . 0.0 109.329 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE2' HG21 ' A' ' 72' ' ' ILE . 26.3 t80 -57.12 -35.62 69.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.417 -0.802 . . . . 0.0 109.436 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HZ1' ' HB3' ' A' ' 45' ' ' GLU . 63.2 tttp -68.4 -39.77 81.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.334 -0.854 . . . . 0.0 110.042 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 40.1 mtm -72.02 -39.21 69.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.222 -0.924 . . . . 0.0 109.43 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.11 69.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.061 -1.024 . . . . 0.0 110.008 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.38 -49.28 56.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.881 -1.137 . . . . 0.0 109.565 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 30' ' ' TYR . 53.6 mt-10 -72.39 -30.2 64.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.204 -0.935 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.27 29.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.15 -0.968 . . . . 0.0 109.933 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.429 ' H ' ' C ' ' A' ' 28' ' ' GLU . 37.6 t80 -70.99 135.93 85.1 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 108.441 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -63.42 165.32 17.94 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 N-CA-C 109.553 -0.979 . . . . 0.0 109.553 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -64.08 137.08 55.33 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.063 1.175 . . . . 0.0 109.408 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -111.53 -24.7 9.98 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.6 tttp 57.46 38.31 28.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.906 . . . . 0.0 109.029 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.62 41.61 0.04 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -168.2 149.43 5.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -1.143 . . . . 0.0 109.172 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 37' ' ' ILE . 13.0 tt -83.96 116.86 66.84 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.277 -0.889 . . . . 0.0 109.021 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -68.36 144.5 62.09 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.5 mm? -71.45 119.17 72.32 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -58.75 134.87 63.35 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 119.889 0.996 . . . . 0.0 109.815 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -64.63 -31.57 72.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.382 -0.824 . . . . 0.0 109.632 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.06 96.4 Favored Glycine 0 N--CA 1.505 3.274 0 C-N-CA 119.655 -1.259 . . . . 0.0 110.017 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -75.79 -31.59 59.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.713 -1.463 . . . . 0.0 109.433 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -75.12 -41.28 58.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HB3' ' HZ1' ' A' ' 24' ' ' LYS . 2.0 pp20? -73.6 -41.66 62.56 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.921 -1.112 . . . . 0.0 109.765 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.9 tttp -70.93 -16.4 62.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.939 -1.101 . . . . 0.0 109.569 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 130.76 44.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.2 167.73 19.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.551 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.0 p-80 -50.35 -44.55 54.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.986 -1.071 . . . . 0.0 110.325 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.25 -50.0 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.067 -1.021 . . . . 0.0 109.086 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -60.0 -35.15 74.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.198 -0.939 . . . . 0.0 109.606 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -52.0 64.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.174 -0.954 . . . . 0.0 109.206 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.69 69.85 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.11 -0.994 . . . . 0.0 109.867 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -73.19 -38.17 66.24 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.074 -1.016 . . . . 0.0 110.236 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.97 -35.72 69.62 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.813 -1.179 . . . . 0.0 109.369 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.4 ttt -71.71 -43.82 65.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.777 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -77.18 -37.11 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.873 -1.142 . . . . 0.0 110.024 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -76.8 -46.65 24.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.964 -1.085 . . . . 0.0 111.285 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -79.26 -41.48 28.07 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.822 -1.174 . . . . 0.0 112.164 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -92.93 -27.35 17.13 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 120.57 -1.331 . . . . 0.0 110.264 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.48 166.68 35.14 Favored Glycine 0 N--CA 1.501 2.994 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 4.5 tm-20 -70.81 -31.52 68.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -1.056 . . . . 0.0 110.104 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.38 -53.46 14.03 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.976 -1.078 . . . . 0.0 110.459 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.1 -39.42 65.82 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.968 -1.083 . . . . 0.0 110.294 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.01 68.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.908 -1.12 . . . . 0.0 109.666 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 11.1 m0 -66.16 -50.38 64.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 109.022 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.7 69.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.051 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.5 mmm -76.08 -33.52 59.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -70.74 -39.73 73.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -0.988 . . . . 0.0 110.25 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.0 -52.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.083 -1.011 . . . . 0.0 110.381 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -57.38 -32.46 66.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 110.33 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG21 ' CE2' ' A' ' 23' ' ' PHE . 42.0 mt -72.8 -34.85 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 120.563 -1.336 . . . . 0.0 109.241 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.3 m-30 -57.09 -47.32 81.33 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.649 -1.282 . . . . 0.0 109.53 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.03 69.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.928 -1.107 . . . . 0.0 109.779 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -46.89 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 110.156 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -84.49 19.51 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.988 -1.07 . . . . 0.0 109.505 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 54.1 86.45 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 109.782 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.57 30.18 0.32 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -47.39 -29.11 2.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.679 -0.638 . . . . 0.0 110.841 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.93 -51.39 59.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.993 -1.067 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.3 tp -57.74 -25.64 60.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 109.797 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.31 -39.81 74.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.829 -1.169 . . . . 0.0 108.684 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.2 -40.13 80.78 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.196 -0.94 . . . . 0.0 109.184 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -74.46 -43.1 57.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.353 -0.842 . . . . 0.0 109.289 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -34.26 68.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.283 -0.886 . . . . 0.0 109.722 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.64 -27.51 65.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.283 -0.886 . . . . 0.0 109.735 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -78.83 -28.33 44.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.964 -1.085 . . . . 0.0 109.96 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 22.8 t70 -90.41 -5.5 56.05 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.035 -1.041 . . . . 0.0 109.698 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.9 pt-20 -56.35 120.33 34.72 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.04 -1.038 . . . . 0.0 109.15 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -62.75 159.01 39.25 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 N-CA-C 109.314 -1.071 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.6 mttm . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 118.033 -0.984 . . . . 0.0 108.86 179.616 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.39 97.33 0.69 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.288 -0.883 . . . . 0.0 109.284 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -75.25 146.21 41.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.304 -0.873 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -65.24 -15.67 62.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 109.083 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -58.4 -47.75 82.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 0.0 109.519 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.5 -29.65 67.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.59 -48.46 48.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.157 -0.964 . . . . 0.0 110.206 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.07 -34.1 76.86 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.33 -27.81 63.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 108.839 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -66.56 -33.16 75.06 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.505 -0.747 . . . . 0.0 109.515 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -75.16 -53.41 8.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.208 -0.933 . . . . 0.0 109.65 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 20' ' ' LEU . 19.4 mt -59.98 -26.25 65.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 108.853 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -81.9 -31.8 31.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.147 -0.971 . . . . 0.0 109.691 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.16 -1.12 38.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.921 -1.112 . . . . 0.0 110.736 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.18 156.6 19.61 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 108.618 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.33 150.23 48.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.849 . . . . 0.0 109.737 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.72 -47.73 81.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.0 110.352 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 19' ' ' ASP . 12.7 p -65.95 -41.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.933 -1.104 . . . . 0.0 109.584 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 18' ' ' VAL . 64.4 m-20 -70.44 -29.23 65.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.021 . . . . 0.0 108.603 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 12' ' ' LEU . 45.3 tp -65.1 -42.28 94.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.83 -45.69 91.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.429 -0.795 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -56.22 -32.81 64.77 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.1 -1.0 . . . . 0.0 109.642 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 72' ' ' ILE . 36.2 t80 -65.09 -42.04 94.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.14 -0.975 . . . . 0.0 109.815 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -67.02 -48.76 67.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.908 -1.12 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt -59.9 -33.81 72.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.367 -0.833 . . . . 0.0 109.098 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -69.28 -30.85 69.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.442 -0.786 . . . . 0.0 109.742 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.74 -43.06 97.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.995 -1.066 . . . . 0.0 109.318 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 30' ' ' TYR . 2.2 mp0 -73.62 -29.55 62.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.056 -1.028 . . . . 0.0 109.01 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.25 3.15 0.96 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 109.792 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 28' ' ' GLU . 33.5 t80 -63.58 119.97 58.63 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -63.62 151.69 83.86 Favored 'Trans proline' 0 CA--C 1.554 1.514 0 N-CA-C 109.485 -1.006 . . . . 0.0 109.485 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -67.27 144.68 69.38 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 120.96 1.107 . . . . 0.0 109.484 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -111.67 18.37 19.06 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 tttm 55.95 49.91 14.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 109.162 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.56 -44.65 0.28 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.3 p -60.48 136.73 58.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -1.093 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 37' ' ' ILE . 14.9 tt -82.38 117.17 67.51 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 120.924 -1.11 . . . . 0.0 108.636 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -66.31 137.86 48.88 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 CA-C-N 119.719 0.936 . . . . 0.0 109.668 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.6 mp -83.66 119.65 74.03 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.11 140.09 86.36 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 120.001 1.036 . . . . 0.0 109.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.01 -32.92 74.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.293 -0.879 . . . . 0.0 109.178 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.45 -24.74 67.96 Favored Glycine 0 N--CA 1.502 3.058 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -74.44 -35.95 63.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.029 -1.277 . . . . 0.0 110.599 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 p -72.2 -55.76 6.69 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.864 -1.147 . . . . 0.0 110.561 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.59 -38.02 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 110.029 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.55 -17.06 62.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.77 -1.206 . . . . 0.0 108.787 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.08 139.06 31.47 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.542 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.35 170.36 16.5 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.285 -0.885 . . . . 0.0 108.904 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -57.46 -47.23 82.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.992 -1.067 . . . . 0.0 109.555 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.94 -49.04 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.053 -1.029 . . . . 0.0 108.597 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -34.69 72.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.286 -0.884 . . . . 0.0 109.501 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.1 -51.18 67.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.952 . . . . 0.0 109.442 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.97 69.43 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.163 -0.961 . . . . 0.0 109.625 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.9 m -73.24 -35.36 66.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.079 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.2 -34.91 68.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.883 -1.136 . . . . 0.0 109.165 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.43 -39.83 70.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.013 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.53 -41.5 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.767 -1.208 . . . . 0.0 110.079 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -77.2 -48.0 18.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.931 -1.106 . . . . 0.0 111.323 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -76.89 -41.81 42.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.997 -1.065 . . . . 0.0 112.112 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.576 ' ND2' ' SD ' ' A' ' 68' ' ' MET . 23.7 t-20 -93.11 -27.16 17.1 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.686 -1.259 . . . . 0.0 110.122 -178.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.42 159.76 28.05 Favored Glycine 0 N--CA 1.504 3.191 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -70.66 -31.25 68.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -1.06 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -71.23 -52.91 16.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.077 -1.014 . . . . 0.0 110.419 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.68 -40.71 63.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.063 -1.023 . . . . 0.0 110.163 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.7 23.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.904 -1.122 . . . . 0.0 110.315 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.054 -1.029 . . . . 0.0 109.101 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.52 70.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.817 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.576 ' SD ' ' ND2' ' A' ' 60' ' ' ASN . 7.5 mtt -75.97 -32.63 59.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.146 -0.971 . . . . 0.0 109.197 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.98 -44.65 79.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 109.898 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 71' ' ' TRP . 28.5 m -75.7 -39.23 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.14 -0.975 . . . . 0.0 110.088 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.43 ' N ' HG23 ' A' ' 70' ' ' VAL . 75.3 t90 -67.3 -33.96 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.076 -1.015 . . . . 0.0 110.007 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.418 HG21 ' CE2' ' A' ' 23' ' ' PHE . 49.1 mt -72.83 -34.15 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 120.652 -1.28 . . . . 0.0 108.628 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.803 -1.185 . . . . 0.0 109.543 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.41 69.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 109.834 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -61.97 -43.15 99.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.115 -0.991 . . . . 0.0 109.673 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.439 ' C ' ' H ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -72.95 14.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.087 -1.008 . . . . 0.0 108.887 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' A' ' 75' ' ' ALA . 6.0 m-20 55.72 5.37 0.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 110.173 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 78' ' ' ARG . 14.4 mtt-85 -81.11 55.19 2.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.051 -1.031 . . . . 0.0 108.567 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -54.96 -29.42 56.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.39 -0.819 . . . . 0.0 110.187 -179.511 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -59.23 -42.85 92.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.765 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.47 -26.11 68.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' CD2' ' NH2' ' A' ' 79' ' ' ARG . 84.0 t80 -71.58 -33.87 69.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.771 -1.206 . . . . 0.0 109.004 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.29 -41.98 99.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.175 -0.953 . . . . 0.0 108.734 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.61 -49.89 19.91 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.475 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.53 -31.54 62.18 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.839 . . . . 0.0 109.748 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -66.34 -27.69 68.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 109.659 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.42 -28.45 52.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.96 -1.087 . . . . 0.0 109.805 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.39 -4.63 58.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.006 -1.058 . . . . 0.0 109.733 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.7 pt-20 -56.37 122.39 49.25 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.1 -1.0 . . . . 0.0 109.018 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.21 154.5 62.59 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.4 tttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.333 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.03 101.08 0.81 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -69.89 132.04 45.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 108.965 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -35.16 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.209 -0.932 . . . . 0.0 108.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -52.76 -47.57 67.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.269 -0.894 . . . . 0.0 109.817 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.4 -32.13 69.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.268 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -65.47 -47.02 77.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.378 -0.827 . . . . 0.0 109.762 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.81 -33.38 74.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.058 -1.026 . . . . 0.0 109.015 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.86 77.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.965 -1.085 . . . . 0.0 109.469 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -68.93 -33.67 74.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.411 -0.806 . . . . 0.0 109.798 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.66 -55.15 5.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.954 -1.091 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.0 -26.65 62.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.105 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.45 -25.64 35.94 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.141 -0.974 . . . . 0.0 108.845 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.23 -1.71 2.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.729 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -96.26 156.05 16.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.172 -0.955 . . . . 0.0 109.337 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -65.54 150.67 48.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.442 -0.786 . . . . 0.0 109.195 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.51 -47.3 66.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.0 110.113 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.75 -39.44 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.132 -0.98 . . . . 0.0 109.583 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.29 -29.34 69.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.026 -1.046 . . . . 0.0 108.99 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.19 -38.81 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 108.781 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 6.4 ttpm? -68.75 -38.85 80.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.022 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 50.2 mttp -67.68 -27.84 67.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.113 -0.992 . . . . 0.0 109.184 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' CE2' HG21 ' A' ' 72' ' ' ILE . 41.5 t80 -67.1 -42.32 84.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 109.377 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -69.44 -43.44 73.31 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.421 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.5 -34.17 68.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 0.0 109.581 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -65.91 -37.6 86.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.184 -0.947 . . . . 0.0 109.103 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.05 -32.12 73.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.123 -0.985 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.38 -14.16 60.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.653 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.1 52.76 1.97 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.508 -0.745 . . . . 0.0 109.34 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -71.44 134.95 84.28 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.644 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.07 123.05 11.0 Favored 'Trans proline' 0 CA--C 1.559 1.741 0 N-CA-C 108.916 -1.225 . . . . 0.0 108.916 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -67.05 133.12 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 N-CA-C 109.315 -1.071 . . . . 0.0 109.315 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -107.55 -44.65 4.23 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.592 -0.693 . . . . 0.0 109.165 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -164.92 35.0 0.06 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 109.476 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.45 95.92 0.1 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 m -67.38 116.36 8.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -1.158 . . . . 0.0 109.795 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt -127.87 93.97 38.28 Favored Pre-proline 0 N--CA 1.507 2.402 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -73.23 137.6 26.31 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 N-CA-C 109.6 -0.961 . . . . 0.0 109.6 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.74 122.35 60.81 Favored Pre-proline 0 N--CA 1.499 1.992 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.08 133.45 41.08 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 120.03 1.046 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -65.13 -44.66 87.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.14 -34.67 74.13 Favored Glycine 0 N--CA 1.505 3.247 0 C-N-CA 119.8 -1.19 . . . . 0.0 110.562 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.81 -41.19 60.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.75 -1.441 . . . . 0.0 110.059 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.4 m -66.75 -45.59 78.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.866 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.52 -38.55 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.01 -1.056 . . . . 0.0 109.534 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.82 -17.41 62.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.837 -1.164 . . . . 0.0 109.065 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.13 127.83 34.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 0.0 109.581 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -79.96 168.24 19.46 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.184 -0.948 . . . . 0.0 108.448 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.557 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.2 p-80 -48.47 -40.95 28.18 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.915 -1.116 . . . . 0.0 110.596 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.0 -47.79 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.127 -0.983 . . . . 0.0 109.284 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.66 -35.07 79.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 0.0 109.805 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.48 -51.65 67.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.117 -0.989 . . . . 0.0 109.023 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.74 67.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 109.909 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.2 m -72.74 -36.33 67.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.123 -0.986 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -70.99 -34.66 71.58 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.9 -1.125 . . . . 0.0 108.84 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mmm -66.85 -40.1 87.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 109.293 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.29 -40.49 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.97 -1.081 . . . . 0.0 110.462 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.91 -46.6 23.81 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.725 -1.234 . . . . 0.0 111.555 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -72.7 -42.29 64.36 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.955 -1.091 . . . . 0.0 112.548 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -99.44 -27.68 13.62 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 120.76 -1.213 . . . . 0.0 110.787 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.45 165.65 24.56 Favored Glycine 0 N--CA 1.505 3.269 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.65 -34.18 71.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -1.137 . . . . 0.0 109.969 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.93 -52.43 20.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.314 -0.866 . . . . 0.0 110.975 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.48 -37.96 74.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.911 -1.118 . . . . 0.0 109.972 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -52.22 60.23 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.929 -1.107 . . . . 0.0 110.218 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -59.25 -47.41 85.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 108.954 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.85 -37.92 66.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.6 mtp -77.14 -32.5 56.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.9 70.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.9 . . . . 0.0 110.679 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 71' ' ' TRP . 32.1 m -75.85 -41.13 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.948 -1.095 . . . . 0.0 110.721 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' N ' HG23 ' A' ' 70' ' ' VAL . 82.4 t90 -66.79 -30.04 70.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.057 -1.027 . . . . 0.0 110.307 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.432 HG21 ' CE2' ' A' ' 23' ' ' PHE . 41.0 mt -72.86 -41.9 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.655 -1.278 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -56.99 -46.96 81.89 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.322 -1.486 . . . . 0.0 109.749 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -28.02 68.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.938 -1.102 . . . . 0.0 109.809 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -65.35 -46.8 78.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.124 -0.985 . . . . 0.0 110.269 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.14 19.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.127 -0.983 . . . . 0.0 108.537 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.441 ' H ' ' C ' ' A' ' 75' ' ' ALA . 37.2 m-80 58.83 16.92 4.83 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.64 -0.662 . . . . 0.0 110.109 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -79.53 52.75 1.44 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.121 -0.987 . . . . 0.0 108.571 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -53.09 -36.97 61.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.761 . . . . 0.0 110.977 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.84 -48.64 70.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.839 -1.163 . . . . 0.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.73 -26.55 61.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 108.845 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.99 -35.17 62.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.476 -1.39 . . . . 0.0 109.525 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -60.71 -44.89 96.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.966 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.29 -34.28 61.29 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.984 -1.072 . . . . 0.0 110.145 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.86 70.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 110.179 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -28.44 64.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.047 . . . . 0.0 109.413 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.31 -24.82 62.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.087 -1.008 . . . . 0.0 109.95 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -96.15 -3.25 44.81 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.243 -0.911 . . . . 0.0 110.147 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.78 117.08 31.8 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.093 -1.005 . . . . 0.0 108.358 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.47 157.67 53.67 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 N-CA-C 109.404 -1.037 . . . . 0.0 109.404 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.22 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.61 97.31 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 109.509 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -72.53 138.37 46.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.311 -0.868 . . . . 0.0 109.084 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.2 m -66.05 -19.56 65.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.321 -0.862 . . . . 0.0 109.195 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -57.13 -49.77 74.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.93 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.0 m -68.64 -28.34 66.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.159 -0.963 . . . . 0.0 109.412 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HZ2' ' HE2' ' A' ' 11' ' ' TYR . 19.8 tptp -69.02 -45.53 70.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.19 -46.07 90.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.137 -0.977 . . . . 0.0 108.437 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.07 82.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.009 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -55.76 -33.21 64.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.387 -0.821 . . . . 0.0 109.785 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.557 ' HE2' ' HZ2' ' A' ' 7' ' ' LYS . 17.9 m-85 -77.57 -56.34 4.61 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.104 -0.998 . . . . 0.0 109.919 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 -26.16 64.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.945 -1.097 . . . . 0.0 108.919 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.5 -25.73 38.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -80.89 -4.49 55.03 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.189 -0.945 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD22 HH22 ' A' ' 78' ' ' ARG . 25.8 mt -93.16 169.41 10.42 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 120.826 -1.171 . . . . 0.0 109.639 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.45 149.99 49.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.594 -0.691 . . . . 0.0 109.617 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.27 -40.52 74.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.897 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.97 -32.39 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.12 -0.987 . . . . 0.0 109.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.8 -29.34 66.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.928 -1.108 . . . . 0.0 108.218 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.94 -45.73 91.12 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.56 -38.16 88.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.83 -0.543 . . . . 0.0 110.976 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.15 -28.0 64.99 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.826 -1.171 . . . . 0.0 110.122 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CE2' HG21 ' A' ' 72' ' ' ILE . 12.2 t80 -68.6 -40.7 80.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.912 -1.118 . . . . 0.0 109.592 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.65 -48.15 64.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.134 . . . . 0.0 108.752 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.425 ' SD ' ' OD2' ' A' ' 29' ' ' ASP . 12.5 tmm? -51.64 -33.92 35.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.58 -0.7 . . . . 0.0 109.759 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.31 -43.42 81.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.256 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.46 -31.26 62.19 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.052 -1.03 . . . . 0.0 109.052 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.8 -17.85 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' OD2' ' SD ' ' A' ' 25' ' ' MET . 30.2 p30 -143.74 52.0 1.33 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.309 -0.869 . . . . 0.0 109.462 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -70.57 135.6 86.1 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -64.69 122.93 10.94 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 N-CA-C 108.83 -1.258 . . . . 0.0 108.83 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -65.45 132.84 32.53 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 N-CA-C 109.086 -1.159 . . . . 0.0 109.086 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.1 -44.51 11.48 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.101 -1.0 . . . . 0.0 108.854 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -169.53 90.35 0.2 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.342 -0.849 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.09 23.99 73.12 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.26 150.37 25.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -1.114 . . . . 0.0 109.57 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 37' ' ' ILE . 16.3 tt -83.65 118.04 70.35 Favored Pre-proline 0 N--CA 1.495 1.825 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -67.23 137.8 44.91 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.2 mm? -82.69 119.33 74.33 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.72 133.34 50.62 Favored 'Trans proline' 0 C--O 1.21 -0.913 0 CA-C-N 119.987 1.031 . . . . 0.0 109.601 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -65.54 -31.59 72.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.311 -0.868 . . . . 0.0 110.058 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.3 -40.32 22.26 Favored Glycine 0 N--CA 1.507 3.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.666 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' ALA . 17.0 pt20 -74.33 -39.72 62.66 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.473 -1.604 . . . . 0.0 110.25 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -55.8 -55.69 29.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.65 -39.08 90.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.066 -1.021 . . . . 0.0 109.6 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -77.42 -16.68 58.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.923 -1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -79.54 124.33 28.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.194 -0.941 . . . . 0.0 109.787 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -80.32 174.14 11.89 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.151 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -53.34 -45.25 69.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.881 -1.137 . . . . 0.0 109.99 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.16 -52.38 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.013 -1.054 . . . . 0.0 108.77 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.14 -34.3 68.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.693 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -55.58 -50.21 70.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.944 -1.097 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.96 70.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 109.6 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.6 m -70.57 -36.1 73.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.147 -0.97 . . . . 0.0 110.133 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.89 -34.86 69.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.942 -1.099 . . . . 0.0 109.059 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.63 -41.65 71.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.0 109.761 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.7 mt -77.74 -38.43 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 120.845 -1.159 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.08 -46.16 24.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.886 -1.134 . . . . 0.0 111.607 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -77.25 -42.28 37.83 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.92 -1.112 . . . . 0.0 112.116 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -94.66 -27.3 15.94 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 120.61 -1.306 . . . . 0.0 110.351 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.86 163.55 28.96 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.39 -33.7 71.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.212 -1.169 . . . . 0.0 109.892 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.73 -52.77 22.52 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.006 . . . . 0.0 110.494 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -72.27 -38.27 68.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.918 -1.114 . . . . 0.0 110.583 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -55.67 24.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.845 -1.159 . . . . 0.0 110.251 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -57.48 -38.87 75.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.078 -1.014 . . . . 0.0 108.973 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.37 88.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.203 -0.936 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.98 -32.56 59.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.253 -0.904 . . . . 0.0 109.114 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -58.55 -37.77 76.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.85 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.07 -54.82 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.254 -0.904 . . . . 0.0 110.224 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -54.41 -29.69 49.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.826 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG21 ' CE2' ' A' ' 23' ' ' PHE . 31.3 mt -72.47 -42.28 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.353 0 O-C-N 120.479 -1.388 . . . . 0.0 109.985 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -56.48 -46.76 80.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.388 -1.445 . . . . 0.0 109.779 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.84 68.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.99 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.952 . . . . 0.0 110.402 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.74 19.29 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 121.048 -1.033 . . . . 0.0 109.363 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 59.02 82.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 0.0 110.277 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.406 HH22 HD22 ' A' ' 15' ' ' LEU . 49.5 mtp180 -155.53 33.92 0.37 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 79' ' ' ARG . 4.6 ptt-85 -47.6 -29.01 2.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.17 -32.01 65.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.917 -1.114 . . . . 0.0 109.274 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.5 tp -69.62 -26.52 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.15 -34.1 68.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.71 -1.244 . . . . 0.0 108.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.91 -44.05 86.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -76.56 -36.43 57.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.916 -1.115 . . . . 0.0 110.109 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.73 80.35 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.214 -0.929 . . . . 0.0 111.044 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -28.57 70.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.744 -1.223 . . . . 0.0 109.432 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.98 -30.27 62.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.127 -0.983 . . . . 0.0 109.563 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -98.92 -5.24 31.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.353 -0.842 . . . . 0.0 109.689 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -56.96 115.14 9.5 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.207 -0.933 . . . . 0.0 109.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.07 160.0 31.97 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.146 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 115.23 6.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -69.89 131.75 44.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.0 m -83.92 -22.41 31.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.247 -0.908 . . . . 0.0 109.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -69.67 -42.53 74.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.242 -0.911 . . . . 0.0 109.673 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -71.64 -40.25 69.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 109.987 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.46 -49.33 27.37 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.15 -0.969 . . . . 0.0 110.141 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.48 -33.23 72.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.925 -1.109 . . . . 0.0 109.373 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.01 72.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.91 -33.08 74.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 109.44 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.0 -52.62 40.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 109.07 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -61.19 -30.56 70.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.262 -0.898 . . . . 0.0 108.733 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' LEU . 46.8 mt-10 -82.51 -28.29 31.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.323 -0.86 . . . . 0.0 109.274 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.31 0.98 0.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.011 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 13' ' ' GLU . 28.1 mt -87.51 162.66 17.1 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.831 -1.168 . . . . 0.0 109.605 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 21.4 mp0 -69.89 156.23 39.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.444 -0.785 . . . . 0.0 109.391 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.17 -42.24 80.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.797 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.77 -39.66 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.209 -0.932 . . . . 0.0 109.599 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -71.57 -29.11 64.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.55 -38.22 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.202 -0.936 . . . . 0.0 109.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -40.36 72.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 0.0 110.244 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 6.2 mptp? -64.37 -33.7 76.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.127 -0.983 . . . . 0.0 109.233 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -66.21 -39.43 89.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.992 -1.068 . . . . 0.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.85 -42.04 81.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.971 -1.081 . . . . 0.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.2 ttm -66.77 -35.96 81.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.14 -0.975 . . . . 0.0 109.869 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 26.0 m80 -69.34 -38.64 78.26 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.178 -0.951 . . . . 0.0 109.274 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 tp -74.18 -32.08 62.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.959 -1.088 . . . . 0.0 109.168 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.46 -35.01 75.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.266 -0.896 . . . . 0.0 110.108 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -100.57 51.44 0.88 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.39 -0.819 . . . . 0.0 109.677 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -70.35 120.15 76.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.057 -1.027 . . . . 0.0 108.865 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.65 123.69 12.44 Favored 'Trans proline' 0 CA--C 1.561 1.858 0 N-CA-C 109.06 -1.169 . . . . 0.0 109.06 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -64.44 141.91 76.28 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 N-CA-C 109.479 -1.008 . . . . 0.0 109.479 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -97.34 -44.72 6.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.397 -0.814 . . . . 0.0 109.739 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -167.12 52.16 0.07 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.08 -1.013 . . . . 0.0 110.09 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 32.03 4.32 Favored Glycine 0 N--CA 1.505 3.25 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.16 151.26 47.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -1.166 . . . . 0.0 109.217 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.01 113.8 50.18 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -70.06 137.57 34.9 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 CA-C-N 120.042 1.051 . . . . 0.0 109.64 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.97 119.66 70.52 Favored Pre-proline 0 N--CA 1.496 1.871 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.44 144.17 84.59 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 CA-C-N 120.001 1.036 . . . . 0.0 109.713 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.27 -34.49 78.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 0.0 109.514 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.02 -24.9 55.72 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -74.51 -51.83 13.61 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.938 -1.33 . . . . 0.0 109.955 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.6 p -63.17 -49.34 74.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 109.989 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.1 -40.37 97.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.749 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -78.27 -17.48 56.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.503 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.17 130.07 39.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.206 -0.933 . . . . 0.0 109.627 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.24 167.68 20.0 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -51.91 -41.61 62.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 110.1 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.12 -48.97 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.04 -1.038 . . . . 0.0 108.97 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.38 -35.91 76.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 109.764 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.91 -51.95 67.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.024 -1.047 . . . . 0.0 109.078 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.71 69.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.007 -1.058 . . . . 0.0 109.614 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.3 m -72.27 -33.55 67.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.176 -0.952 . . . . 0.0 110.041 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.7 -34.4 69.59 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 108.851 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mmm -68.35 -41.56 80.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.936 . . . . 0.0 109.537 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.8 mt -78.05 -40.13 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.958 -1.089 . . . . 0.0 110.27 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.95 -44.85 29.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.782 -1.199 . . . . 0.0 111.372 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -73.15 -41.71 63.62 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.935 -1.103 . . . . 0.0 112.162 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -100.8 -27.47 13.33 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.811 -1.181 . . . . 0.0 111.025 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.13 165.26 24.83 Favored Glycine 0 N--CA 1.505 3.28 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.85 -37.06 73.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.08 -1.247 . . . . 0.0 110.476 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.65 -53.13 14.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.992 -1.068 . . . . 0.0 110.698 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.68 -38.02 80.02 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.018 -1.052 . . . . 0.0 110.476 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.23 -40.56 74.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.847 -1.158 . . . . 0.0 109.578 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -64.53 -37.66 88.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.0 108.902 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.3 88.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.903 . . . . 0.0 109.905 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.83 -37.22 59.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.092 -1.005 . . . . 0.0 109.246 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -63.41 -41.25 98.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.265 -0.897 . . . . 0.0 109.313 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -75.8 -41.91 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.82 . . . . 0.0 109.903 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -64.68 -34.04 77.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.9 -1.125 . . . . 0.0 110.01 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.91 -33.68 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.65 -1.281 . . . . 0.0 108.837 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' ' NH2' ' A' ' 78' ' ' ARG . 4.0 m-30 -56.81 -47.18 80.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.857 -1.152 . . . . 0.0 109.853 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.86 69.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.826 -1.171 . . . . 0.0 109.972 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.86 77.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.164 -0.96 . . . . 0.0 110.532 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 pt -90.03 19.64 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.022 -1.049 . . . . 0.0 109.712 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 1.6 m120 58.67 91.92 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.481 -0.762 . . . . 0.0 110.857 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.559 ' NH2' ' CE2' ' A' ' 73' ' ' PHE . 53.3 mtp180 -144.81 29.21 1.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -47.31 -37.44 10.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.586 -0.696 . . . . 0.0 110.606 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.4 -54.19 8.11 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.125 -0.984 . . . . 0.0 110.098 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -26.52 62.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.182 -0.949 . . . . 0.0 109.125 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.83 -38.61 73.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.957 -1.089 . . . . 0.0 108.773 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.4 -40.64 82.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.138 -0.976 . . . . 0.0 109.254 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.52 -43.63 54.97 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.347 -0.845 . . . . 0.0 109.39 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.98 72.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.02 -27.5 68.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -75.55 -29.29 59.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.937 -1.102 . . . . 0.0 109.562 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.23 -12.63 34.69 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.11 -0.994 . . . . 0.0 109.706 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.45 109.57 1.7 Allowed Pre-proline 0 N--CA 1.504 2.266 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.496 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.58 153.49 77.05 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.797 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.4 105.64 0.75 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.42 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -69.93 131.78 44.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 m -78.83 -20.55 49.4 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.267 -0.895 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -56.91 -51.17 70.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.183 -0.948 . . . . 0.0 109.747 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.3 m -71.38 -23.79 61.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.183 -0.948 . . . . 0.0 109.837 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -73.65 -52.02 14.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.203 -0.935 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 57' ' ' ILE . 4.2 tp -61.64 -34.56 75.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.032 -1.042 . . . . 0.0 109.48 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.45 80.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.19 -0.944 . . . . 0.0 108.913 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -57.06 -33.1 66.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 109.531 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -70.89 -52.99 16.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.687 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.73 -28.71 68.88 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.446 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -81.71 -24.45 36.17 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.317 -0.865 . . . . 0.0 108.816 179.061 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.81 -2.04 11.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.169 -0.957 . . . . 0.0 110.025 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.15 159.41 15.03 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 121.022 -1.048 . . . . 0.0 109.386 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.54 159.49 24.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.4 -0.813 . . . . 0.0 109.788 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -47.3 86.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.328 -0.857 . . . . 0.0 109.888 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -32.51 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.982 -1.074 . . . . 0.0 109.132 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.42 -29.24 65.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.979 -1.075 . . . . 0.0 108.41 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.9 -31.39 70.27 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.87 -32.49 70.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.674 -0.641 . . . . 0.0 109.926 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.18 -27.98 59.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.104 -0.997 . . . . 0.0 109.779 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -71.9 -40.33 68.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.982 -1.074 . . . . 0.0 110.092 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -69.86 -46.21 66.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 109.946 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.4 ttm -58.75 -40.67 84.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.586 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -31.06 68.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.189 -0.944 . . . . 0.0 109.72 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.66 -52.43 31.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.145 -0.972 . . . . 0.0 109.965 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.73 -36.26 83.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.0 109.961 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -78.4 36.48 0.25 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.067 -1.021 . . . . 0.0 109.713 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -73.47 119.58 76.62 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.185 -0.947 . . . . 0.0 109.007 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -68.68 125.38 12.64 Favored 'Trans proline' 0 CA--C 1.559 1.755 0 N-CA-C 108.943 -1.214 . . . . 0.0 108.943 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.15 142.71 88.04 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 N-CA-C 109.237 -1.101 . . . . 0.0 109.237 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -110.68 -44.84 3.59 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.535 -0.728 . . . . 0.0 109.815 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -170.04 95.59 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.22 -0.925 . . . . 0.0 109.516 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.23 -1.88 39.41 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.51 125.86 24.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.167 -1.196 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 37' ' ' ILE . 15.2 tt -83.26 117.2 67.89 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.103 -0.998 . . . . 0.0 109.066 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -67.81 142.71 58.6 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.9 mp -71.5 119.73 75.65 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.12 133.89 57.54 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 CA-C-N 119.921 1.008 . . . . 0.0 109.988 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -64.46 -32.1 73.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.662 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.41 93.46 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.564 -1.303 . . . . 0.0 110.265 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -75.05 -39.31 61.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.705 -1.468 . . . . 0.0 109.873 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.9 m -63.7 -52.5 60.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.009 . . . . 0.0 109.893 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.79 -36.67 85.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.995 -1.065 . . . . 0.0 109.447 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -70.57 -15.41 62.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.825 -1.172 . . . . 0.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.68 131.48 36.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.273 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 34.6 t70 -80.13 -179.9 7.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.235 -0.915 . . . . 0.0 109.294 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 27.1 m-70 -60.28 -47.77 84.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.606 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.17 -48.19 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.95 -1.094 . . . . 0.0 108.742 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.59 -34.47 75.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.64 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.45 -51.19 65.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.35 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.83 69.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.237 -0.914 . . . . 0.0 109.575 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.9 m -70.35 -35.65 73.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.061 -1.025 . . . . 0.0 110.122 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.12 -34.76 71.37 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.038 -1.039 . . . . 0.0 109.118 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 91.2 mtp -71.49 -41.82 68.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.951 . . . . 0.0 109.628 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.58 HD11 HD22 ' A' ' 8' ' ' LEU . 72.8 mt -77.93 -36.97 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.848 -1.158 . . . . 0.0 110.161 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 -46.15 25.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.71 -1.244 . . . . 0.0 111.51 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -78.78 -42.3 28.28 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.809 -1.182 . . . . 0.0 112.563 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -96.47 -27.42 14.89 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.666 -1.271 . . . . 0.0 110.655 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.22 165.78 29.95 Favored Glycine 0 N--CA 1.503 3.119 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.88 -30.96 67.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -1.193 . . . . 0.0 110.13 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.51 -52.81 19.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.224 -0.923 . . . . 0.0 110.757 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -73.34 -41.52 63.36 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.911 -1.118 . . . . 0.0 110.15 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.48 69.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.836 -1.165 . . . . 0.0 109.874 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -57.5 -46.56 83.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.249 -0.907 . . . . 0.0 109.055 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.84 71.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.127 -0.983 . . . . 0.0 109.972 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mtp -75.85 -32.61 59.84 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.201 -0.937 . . . . 0.0 109.361 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.69 -37.84 85.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.178 -0.951 . . . . 0.0 109.818 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.01 -48.11 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.182 -0.949 . . . . 0.0 110.311 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.01 -33.06 72.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.046 . . . . 0.0 110.429 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.0 mt -72.92 -34.35 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 120.516 -1.365 . . . . 0.0 109.044 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.8 m-30 -57.24 -47.3 81.72 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.868 -1.145 . . . . 0.0 109.76 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.17 69.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.905 -1.122 . . . . 0.0 109.845 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.73 80.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.12 -0.987 . . . . 0.0 110.089 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -83.98 18.76 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.119 -0.988 . . . . 0.0 109.684 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 56.04 83.72 0.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.339 -0.851 . . . . 0.0 109.721 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -159.3 30.53 0.2 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -50.26 -32.42 16.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.672 -0.643 . . . . 0.0 111.093 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -58.58 -40.62 83.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.673 -1.267 . . . . 0.0 109.545 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.36 -25.95 67.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.929 . . . . 0.0 110.18 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -70.25 -35.93 74.12 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.695 -1.253 . . . . 0.0 108.54 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -62.39 -42.95 99.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.126 -0.984 . . . . 0.0 108.758 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.09 -44.53 63.09 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.84 -32.1 51.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -70.78 -27.7 64.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 87' ' ' ARG . 1.9 mmt-85 -78.87 -28.49 44.19 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.828 -1.17 . . . . 0.0 109.874 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.33 -3.46 50.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 109.502 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.6 109.49 1.59 Allowed Pre-proline 0 N--CA 1.503 2.192 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.15 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -63.61 151.86 83.05 Favored 'Trans proline' 0 C--O 1.214 -0.723 0 N-CA-C 109.452 -1.018 . . . . 0.0 109.452 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.19 -0.91 . . . . 0.0 109.869 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.45 114.82 1.04 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.204 -0.935 . . . . 0.0 109.443 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -69.76 151.34 45.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.277 -0.889 . . . . 0.0 109.278 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 m -67.49 -20.12 65.42 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -60.43 -51.09 70.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 0.0 109.74 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.62 -27.71 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.09 -43.13 68.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.191 -0.943 . . . . 0.0 109.681 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.42 -43.85 80.23 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.232 -0.918 . . . . 0.0 108.881 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -39.82 93.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.877 -1.139 . . . . 0.0 108.872 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -57.24 -33.08 67.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.22 -55.26 11.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.159 -0.963 . . . . 0.0 109.365 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.36 -26.56 68.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.067 -1.021 . . . . 0.0 108.753 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.34 -30.08 33.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.423 -0.798 . . . . 0.0 109.434 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.69 -2.41 9.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.973 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.27 168.38 11.13 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.917 -1.114 . . . . 0.0 109.038 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.82 164.37 26.13 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.321 -0.862 . . . . 0.0 109.062 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.58 -47.34 76.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.15 -33.02 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.961 -1.087 . . . . 0.0 108.819 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.24 -29.22 67.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.978 -1.076 . . . . 0.0 108.18 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.57 -31.21 71.78 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -66.19 -43.24 87.4 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.676 -0.64 . . . . 0.0 109.974 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 2.1 mptm? -63.49 -29.72 70.96 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.153 -0.967 . . . . 0.0 109.32 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.95 -43.25 71.95 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.888 -1.132 . . . . 0.0 109.978 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.37 -47.15 51.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.984 -1.073 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.6 ttt -58.13 -38.82 77.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 109.573 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 2.3 m80 -69.95 -31.18 68.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.111 -0.993 . . . . 0.0 109.338 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.06 -41.64 86.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.108 -0.995 . . . . 0.0 109.322 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.01 -31.96 72.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -89.62 29.54 1.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.2 -0.938 . . . . 0.0 109.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.15 120.19 62.27 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 108.895 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -65.14 128.49 20.66 Favored 'Trans proline' 0 CA--C 1.559 1.768 0 N-CA-C 108.761 -1.284 . . . . 0.0 108.761 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -64.54 135.49 45.95 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 N-CA-C 109.411 -1.034 . . . . 0.0 109.411 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -97.42 -45.19 6.54 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.386 -0.821 . . . . 0.0 109.388 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -170.48 94.22 0.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.235 -0.916 . . . . 0.0 109.43 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.73 15.54 68.95 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.45 131.82 51.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -1.156 . . . . 0.0 109.365 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.59 114.24 52.25 Favored Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -66.51 137.8 47.83 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 120.077 1.063 . . . . 0.0 109.908 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.15 123.41 88.01 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -52.29 135.77 53.99 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 CA-C-N 120.024 1.044 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.472 HH12 ' CD ' ' A' ' 45' ' ' GLU . 2.4 ttt-85 -63.9 -48.67 75.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.82 -29.4 50.13 Favored Glycine 0 N--CA 1.504 3.202 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -75.06 -40.07 60.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.069 -1.253 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -69.84 -46.97 64.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.214 -0.929 . . . . 0.0 109.758 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CD ' HH12 ' A' ' 41' ' ' ARG . 70.2 mm-40 -59.89 -39.65 86.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.967 -1.083 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -75.2 -14.76 60.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.904 -1.123 . . . . 0.0 109.147 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.22 126.05 30.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.224 -0.923 . . . . 0.0 109.617 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.35 169.63 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 109.089 179.668 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 1.9 p-80 -52.16 -44.87 64.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.121 -0.987 . . . . 0.0 110.101 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -68.71 -49.61 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.147 -0.97 . . . . 0.0 108.871 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -34.13 70.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.357 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.35 -51.67 66.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.043 -1.035 . . . . 0.0 108.977 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.79 65.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 m -73.81 -33.34 64.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.099 -1.0 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.95 -34.72 69.22 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.91 -1.119 . . . . 0.0 108.799 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.7 mmm -70.96 -42.98 69.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 109.642 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -77.81 -38.03 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.962 -1.086 . . . . 0.0 110.23 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -76.87 -42.33 40.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.875 -1.141 . . . . 0.0 111.546 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -83.24 -41.94 17.78 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.794 -1.191 . . . . 0.0 112.548 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -98.53 -27.88 13.84 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.29 176.33 39.01 Favored Glycine 0 N--CA 1.504 3.215 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 36.2 mp0 -70.94 -44.49 66.01 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.334 -1.098 . . . . 0.0 110.865 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -64.17 -49.27 72.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.802 -1.186 . . . . 0.0 112.041 -177.36 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 88.9 mttt -73.83 -42.18 61.23 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.346 -1.471 . . . . 0.0 109.661 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.66 -50.39 65.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.917 -1.114 . . . . 0.0 110.287 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -60.58 -35.3 75.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.125 -0.985 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.15 88.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.225 -0.922 . . . . 0.0 109.718 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.9 mtp -76.36 -32.31 58.55 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.219 -0.926 . . . . 0.0 109.295 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.77 81.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.913 . . . . 0.0 110.319 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 71' ' ' TRP . 14.6 p -75.67 -40.42 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.114 -0.991 . . . . 0.0 110.234 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' N ' HG13 ' A' ' 70' ' ' VAL . 86.8 t90 -65.98 -29.55 69.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.198 -0.938 . . . . 0.0 110.408 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.27 -42.25 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.506 -1.371 . . . . 0.0 109.621 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -56.84 -47.41 80.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.332 -1.48 . . . . 0.0 109.769 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.68 68.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.727 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.78 64.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 110.799 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.52 18.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.795 -1.19 . . . . 0.0 110.411 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.38 75.44 0.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.157 -0.965 . . . . 0.0 109.738 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -143.49 45.47 1.51 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -46.24 -32.94 3.34 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -54.53 -40.66 68.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.992 -1.068 . . . . 0.0 109.693 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.77 -25.36 66.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.824 . . . . 0.0 109.031 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -67.29 -33.77 75.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.861 -1.15 . . . . 0.0 109.176 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.66 -47.27 48.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.899 . . . . 0.0 110.365 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -74.58 -36.61 63.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.107 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.62 76.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.959 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -70.66 -27.48 64.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.174 -0.954 . . . . 0.0 110.092 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -83.71 -27.32 29.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.848 -1.157 . . . . 0.0 110.247 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -86.07 -2.63 58.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.019 -1.051 . . . . 0.0 110.02 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.33 114.8 8.37 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 121.099 -1.001 . . . . 0.0 108.464 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.68 157.06 53.68 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 118.019 -0.991 . . . . 0.0 108.947 179.734 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.68 97.01 1.01 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.246 -0.909 . . . . 0.0 109.69 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -84.64 173.27 10.88 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.243 -0.911 . . . . 0.0 109.022 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -67.78 -23.09 65.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.077 -1.014 . . . . 0.0 108.826 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 5' ' ' ARG . 20.5 mtt-85 -60.28 -51.02 71.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 109.523 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.5 p -59.68 -34.05 72.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.244 -0.91 . . . . 0.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.84 -51.83 55.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.296 -0.878 . . . . 0.0 109.467 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.19 -32.58 48.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.907 -1.12 . . . . 0.0 109.643 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.54 79.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.205 -0.934 . . . . 0.0 110.069 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.6 -33.82 73.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.157 -0.964 . . . . 0.0 110.054 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -72.07 -43.67 64.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -73.52 -26.75 61.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.097 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -81.79 -27.51 33.68 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -61.48 -5.63 1.88 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 109.852 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.33 160.44 26.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.209 -0.932 . . . . 0.0 109.788 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.57 161.72 30.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.499 -0.751 . . . . 0.0 109.406 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -47.67 81.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.955 . . . . 0.0 109.907 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.38 -32.45 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.023 -1.048 . . . . 0.0 108.96 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.02 -28.96 63.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.922 -1.111 . . . . 0.0 108.396 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -60.18 -39.05 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.383 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.2 -39.84 78.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.267 -0.895 . . . . 0.0 110.371 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -66.69 -40.41 88.51 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.033 -1.042 . . . . 0.0 109.925 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -63.47 -44.39 94.58 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.28 -0.887 . . . . 0.0 109.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -72.91 -48.16 39.48 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.023 -1.048 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.81 -38.93 92.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 0.0 109.776 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -69.78 -31.0 68.69 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.02 -50.27 71.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.194 -0.941 . . . . 0.0 109.7 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.48 -26.95 64.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.078 -1.014 . . . . 0.0 110.103 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -76.53 15.36 0.63 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.076 -1.015 . . . . 0.0 110.08 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -66.35 123.31 85.13 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.054 -1.029 . . . . 0.0 108.248 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -62.37 165.97 14.09 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 CA-C-N 119.882 0.994 . . . . 0.0 109.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -66.4 138.44 50.63 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 121.225 1.284 . . . . 0.0 109.636 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -111.8 22.34 15.05 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.337 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 36.4 47.91 0.54 Allowed 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.471 0.653 . . . . 0.0 111.381 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.95 -74.01 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.6 t -64.94 151.48 45.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 109.326 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -82.98 133.14 48.93 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.171 -0.955 . . . . 0.0 108.475 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.37 141.98 89.23 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 N-CA-C 109.688 -0.928 . . . . 0.0 109.688 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.7 mp -75.97 119.59 77.86 Favored Pre-proline 0 N--CA 1.494 1.738 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -56.18 135.95 72.66 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 CA-C-N 119.903 1.001 . . . . 0.0 109.79 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -64.25 -31.71 73.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.356 -0.84 . . . . 0.0 109.714 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.15 95.13 Favored Glycine 0 N--CA 1.502 3.044 0 C-N-CA 119.571 -1.3 . . . . 0.0 110.112 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.27 -52.06 11.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.859 -1.377 . . . . 0.0 109.965 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.6 m -60.95 -35.16 76.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -0.982 . . . . 0.0 109.649 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.86 -42.14 73.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.207 -0.933 . . . . 0.0 109.328 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.21 -11.71 54.3 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.846 -1.159 . . . . 0.0 109.528 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 129.9 41.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.38 171.82 14.57 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.345 -0.847 . . . . 0.0 108.775 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -56.52 -45.38 81.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.007 -1.058 . . . . 0.0 109.735 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.31 -52.64 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.056 -1.028 . . . . 0.0 108.986 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.63 -35.87 71.06 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 109.671 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.33 -49.54 71.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.148 -0.97 . . . . 0.0 109.627 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -29.06 69.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.155 -0.966 . . . . 0.0 110.007 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -71.73 -34.34 69.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.972 -1.08 . . . . 0.0 110.032 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.43 -34.8 70.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.05 -1.031 . . . . 0.0 108.598 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 ttm -67.59 -40.67 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.332 -0.855 . . . . 0.0 109.65 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.0 -35.56 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.743 -1.223 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.82 -51.07 12.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.764 -1.21 . . . . 0.0 111.834 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.3 -41.91 38.92 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.543 -1.348 . . . . 0.0 112.371 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -92.69 -27.45 17.26 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 120.267 -1.52 . . . . 0.0 110.478 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 164.06 31.09 Favored Glycine 0 N--CA 1.503 3.16 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.02 -34.49 73.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 110.339 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -53.24 19.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.035 -1.041 . . . . 0.0 110.424 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -72.23 -37.83 69.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.972 -1.08 . . . . 0.0 110.431 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.51 -49.72 66.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.746 -1.221 . . . . 0.0 109.854 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 108.656 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.4 72.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.2 mmm -76.21 -34.37 59.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.128 -0.983 . . . . 0.0 109.072 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 73' ' ' PHE . . . -65.14 -41.45 94.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.21 -0.931 . . . . 0.0 110.094 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 71' ' ' TRP . 35.2 m -76.71 -41.57 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.647 -1.283 . . . . 0.0 110.317 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.422 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.4 t90 -73.23 -30.24 63.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.061 -1.025 . . . . 0.0 111.296 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 73' ' ' PHE . 17.9 tt -72.07 -45.62 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 120.515 -1.366 . . . . 0.0 109.783 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 69' ' ' ALA . 20.0 m-85 -56.82 -46.48 81.62 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.545 -1.347 . . . . 0.0 109.492 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.04 -28.03 55.71 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.775 -1.203 . . . . 0.0 110.081 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.67 -46.68 81.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.081 -1.012 . . . . 0.0 109.986 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 76' ' ' ILE . 12.9 pt -79.88 19.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.098 -1.002 . . . . 0.0 109.428 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 54.45 24.89 5.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.715 -0.616 . . . . 0.0 111.171 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -92.53 50.63 1.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.002 -1.061 . . . . 0.0 108.341 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 79' ' ' ARG . 24.8 ttt-85 -55.18 -27.72 47.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.829 -0.544 . . . . 0.0 111.527 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -52.36 -46.56 66.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.697 -1.252 . . . . 0.0 110.876 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.78 -26.26 66.01 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.793 -1.192 . . . . 0.0 109.595 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -62.48 -33.75 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.508 -1.37 . . . . 0.0 108.787 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -72.65 -41.52 65.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.868 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -74.22 -52.81 11.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.974 -1.079 . . . . 0.0 110.099 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.68 -29.02 36.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.108 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -67.93 -27.53 66.7 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -79.81 -28.9 40.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.969 -1.082 . . . . 0.0 109.969 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.23 -2.78 58.07 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.06 -1.025 . . . . 0.0 109.739 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.2 pt-20 -55.74 120.05 29.86 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.184 -0.948 . . . . 0.0 108.999 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.74 151.48 83.61 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 N-CA-C 109.537 -0.986 . . . . 0.0 109.537 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.7 tttm . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.843 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.51 107.07 0.77 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -72.55 132.01 43.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 109.583 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.64 -25.64 57.06 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.251 -0.906 . . . . 0.0 109.237 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -61.46 -39.4 90.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.664 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -70.49 -40.63 73.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.318 -0.864 . . . . 0.0 109.927 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.77 -51.84 30.49 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.157 -0.965 . . . . 0.0 109.945 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.56 -38.58 75.03 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.133 -0.979 . . . . 0.0 109.057 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.95 -27.82 63.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.153 -0.967 . . . . 0.0 109.492 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -69.98 -33.17 71.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 110.048 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -74.66 -53.64 8.92 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.058 -1.027 . . . . 0.0 109.631 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.27 -26.04 62.48 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.022 -1.049 . . . . 0.0 108.897 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.44 -22.18 38.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.168 -0.958 . . . . 0.0 108.962 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.03 -2.26 20.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.22 -0.925 . . . . 0.0 109.895 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.68 150.85 22.16 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.08 160.06 29.66 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.21 -47.51 85.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 109.938 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.64 -39.1 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -72.36 -29.13 63.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.62 -37.17 82.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.029 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 21' ' ' LYS . 7.8 mtpm? -69.83 -32.94 71.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.074 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 9.9 mtpm? -70.09 -28.38 65.37 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.056 -1.028 . . . . 0.0 109.175 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 72' ' ' ILE . 37.8 t80 -70.66 -39.35 73.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.997 -1.064 . . . . 0.0 109.379 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HZ3' HD13 ' A' ' 52' ' ' LEU . 51.0 mmtt -65.7 -50.02 66.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.096 -1.002 . . . . 0.0 109.483 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.5 ttm -65.57 -34.66 78.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.862 . . . . 0.0 109.963 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -69.19 -31.01 69.33 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.178 -0.951 . . . . 0.0 109.41 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.05 -32.24 64.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.082 -1.011 . . . . 0.0 109.264 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 30' ' ' TYR . 96.7 mt-10 -70.73 -30.55 67.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.874 . . . . 0.0 109.752 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -74.41 35.98 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 109.619 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.446 ' H ' ' C ' ' A' ' 28' ' ' GLU . 25.2 t80 -71.84 120.11 78.16 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 108.517 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -61.92 166.67 11.82 Favored 'Trans proline' 0 CA--C 1.551 1.352 0 CA-C-N 119.912 1.004 . . . . 0.0 109.796 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -64.15 136.32 51.34 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 121.211 1.274 . . . . 0.0 109.595 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -111.83 -12.27 13.83 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 50.42 39.98 21.91 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.216 -0.928 . . . . 0.0 109.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.3 45.96 0.03 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -167.84 151.33 6.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -1.151 . . . . 0.0 109.171 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 37' ' ' ILE . 5.3 mp -84.32 113.85 51.09 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.31 141.0 85.95 Favored 'Trans proline' 0 C--O 1.214 -0.688 0 CA-C-N 120.145 1.088 . . . . 0.0 109.378 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -80.35 118.74 73.84 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -55.46 140.67 82.95 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 119.811 0.968 . . . . 0.0 109.821 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.54 -44.95 89.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.009 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -25.04 53.85 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.55 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.8 -52.51 11.23 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.407 . . . . 0.0 110.363 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -64.22 -34.27 77.72 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.864 -1.147 . . . . 0.0 109.967 -178.698 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.48 -40.37 77.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.778 -1.201 . . . . 0.0 109.443 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.35 -16.23 46.88 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.833 -1.167 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.35 129.42 39.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.006 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 16.8 m-20 -80.36 165.4 22.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.257 -0.902 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 10.2 p-80 -56.89 -31.96 65.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.181 -0.95 . . . . 0.0 110.442 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.22 -53.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.093 -1.004 . . . . 0.0 110.332 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 2.6 p30 -69.44 -34.35 74.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.989 -1.07 . . . . 0.0 109.769 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 11.7 tp -55.01 -51.23 66.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.906 -1.121 . . . . 0.0 109.625 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -29.08 70.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.177 -0.952 . . . . 0.0 109.965 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.6 m -75.51 -37.23 60.26 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.861 . . . . 0.0 110.646 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.17 -34.19 68.28 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.883 -1.136 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.6 ttt -65.38 -42.5 92.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.224 -0.923 . . . . 0.0 110.278 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.41 -40.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.464 0 O-C-N 120.682 -1.261 . . . . 0.0 110.481 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.72 -51.2 13.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.024 . . . . 0.0 111.481 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.55 -41.27 55.3 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.965 -1.085 . . . . 0.0 111.914 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -92.63 -27.31 17.39 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.687 -1.258 . . . . 0.0 109.659 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.24 142.89 8.45 Favored Glycine 0 N--CA 1.505 3.275 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.92 -40.38 97.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 0.0 109.256 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.43 -52.8 16.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.151 -0.968 . . . . 0.0 109.903 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -62.88 -38.33 90.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 109.877 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.52 -53.24 57.05 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.964 -1.085 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -53.95 -40.13 66.54 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.021 -1.049 . . . . 0.0 109.447 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.85 83.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.9 mmm -75.93 -32.43 59.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.087 -1.008 . . . . 0.0 109.035 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -69.16 -43.46 74.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.87 . . . . 0.0 110.401 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 71' ' ' TRP . 23.6 m -75.65 -43.67 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.044 -1.035 . . . . 0.0 110.546 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.491 ' N ' HG23 ' A' ' 70' ' ' VAL . 71.7 t90 -66.02 -32.76 74.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.944 -1.097 . . . . 0.0 109.956 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.41 HG21 ' CE2' ' A' ' 23' ' ' PHE . 5.2 mm -72.48 -34.12 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 120.654 -1.279 . . . . 0.0 108.688 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.35 -47.51 81.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.805 -1.184 . . . . 0.0 109.793 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.96 68.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.937 -1.102 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -67.26 -40.9 86.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 0.0 110.423 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -70.67 5.25 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.015 -1.053 . . . . 0.0 109.012 -179.305 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.505 ' ND2' HH22 ' A' ' 79' ' ' ARG . 8.2 t-20 62.87 47.71 4.35 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.557 -0.714 . . . . 0.0 109.66 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 78' ' ' ARG . 15.9 mtt-85 -135.1 50.89 2.12 Favored 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.505 HH22 ' ND2' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -54.4 -28.82 46.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.241 -0.912 . . . . 0.0 110.51 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.19 -46.53 72.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -26.63 68.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.623 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.09 -34.43 71.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.694 -1.254 . . . . 0.0 108.882 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.0 -41.42 98.03 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.2 -0.937 . . . . 0.0 108.758 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -74.8 -48.34 25.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.386 -0.821 . . . . 0.0 109.408 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.77 -33.64 56.5 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.278 -0.889 . . . . 0.0 109.428 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -67.74 -27.43 66.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -79.41 -29.92 42.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.898 -1.126 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -94.65 -4.18 48.11 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.225 -0.922 . . . . 0.0 109.799 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -54.87 109.32 1.51 Allowed Pre-proline 0 N--CA 1.503 2.216 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.514 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.27 157.15 59.28 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 N-CA-C 109.325 -1.067 . . . . 0.0 109.325 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.25 -179.742 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.16 138.2 58.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -69.91 142.75 52.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.334 -0.854 . . . . 0.0 109.233 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -68.29 -28.62 67.34 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -54.18 -42.49 69.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -67.84 -25.37 65.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.355 -0.841 . . . . 0.0 109.266 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -73.68 -46.3 47.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.333 -0.854 . . . . 0.0 110.043 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.04 -33.59 72.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.075 -1.016 . . . . 0.0 109.779 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.56 94.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.145 -0.972 . . . . 0.0 109.681 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.54 -32.94 74.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.91 -55.05 29.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.191 -0.943 . . . . 0.0 109.621 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.64 -26.2 61.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.978 -1.076 . . . . 0.0 108.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.34 -29.51 34.1 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.127 -0.983 . . . . 0.0 109.052 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -68.01 1.01 2.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.963 . . . . 0.0 109.725 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.2 158.77 15.94 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -65.37 162.59 17.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.388 -0.82 . . . . 0.0 109.884 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.07 -47.56 70.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 0.0 110.093 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.23 -40.0 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.953 -1.092 . . . . 0.0 109.155 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -63.28 -29.46 70.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.001 -1.062 . . . . 0.0 108.614 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.79 -31.33 71.89 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -65.38 -37.45 87.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.654 -0.654 . . . . 0.0 109.651 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -70.39 -28.13 64.85 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.072 -1.017 . . . . 0.0 109.617 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -67.84 -42.59 81.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.835 -1.166 . . . . 0.0 109.678 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -72.36 -47.8 46.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.049 -1.032 . . . . 0.0 109.613 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.75 -35.35 68.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 109.465 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -41.86 75.26 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.218 -0.927 . . . . 0.0 109.462 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -74.34 -31.71 62.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.179 -0.951 . . . . 0.0 108.817 -179.791 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.88 -14.45 59.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.357 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -141.15 60.01 1.51 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.367 -0.833 . . . . 0.0 108.946 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -65.5 136.04 96.03 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -64.38 122.76 10.79 Favored 'Trans proline' 0 CA--C 1.559 1.758 0 N-CA-C 109.06 -1.169 . . . . 0.0 109.06 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -66.23 133.04 31.47 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 N-CA-C 109.258 -1.093 . . . . 0.0 109.258 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -95.64 -44.89 7.27 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.318 -0.864 . . . . 0.0 109.464 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -168.47 38.92 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.51 41.0 0.64 Allowed Glycine 0 N--CA 1.507 3.391 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.15 151.12 45.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -1.213 . . . . 0.0 109.287 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.63 110.84 49.66 Favored Pre-proline 0 N--CA 1.504 2.252 0 CA-C-O 118.32 -0.848 . . . . 0.0 108.724 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -67.85 137.65 42.25 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 CA-C-N 120.099 1.071 . . . . 0.0 109.519 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -75.56 125.13 88.98 Favored Pre-proline 0 N--CA 1.494 1.774 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -51.55 134.82 47.18 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 120.061 1.057 . . . . 0.0 109.888 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.468 HH11 ' CG ' ' A' ' 41' ' ' ARG . 8.4 mtt-85 -63.97 -32.0 73.39 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.988 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.75 94.78 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.305 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.72 -51.82 11.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.719 -1.46 . . . . 0.0 109.893 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.0 m -56.89 -46.5 81.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.295 -0.878 . . . . 0.0 110.474 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.33 -43.66 73.27 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.583 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -73.62 -17.29 61.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.973 -1.079 . . . . 0.0 109.665 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.42 133.52 55.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -80.32 168.07 19.48 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 109.084 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -53.22 -49.51 66.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 109.824 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.38 -46.25 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.029 -1.045 . . . . 0.0 108.743 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.11 -34.76 73.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.0 109.462 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.0 -52.04 64.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.108 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.64 70.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.075 -1.016 . . . . 0.0 109.709 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.3 m -72.7 -33.1 66.26 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.151 -0.968 . . . . 0.0 110.261 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.19 -34.03 70.51 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.83 -1.169 . . . . 0.0 108.718 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.5 mtp -67.15 -40.53 86.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.389 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.5 -41.27 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.07 -1.019 . . . . 0.0 110.411 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.67 -41.23 46.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.671 -1.268 . . . . 0.0 111.416 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.83 -41.75 67.81 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.047 -1.033 . . . . 0.0 112.295 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -107.38 -27.54 10.4 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.999 -1.063 . . . . 0.0 111.184 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.07 167.93 22.24 Favored Glycine 0 N--CA 1.507 3.429 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -71.04 -35.74 72.08 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.081 -1.247 . . . . 0.0 110.623 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -71.69 -53.08 14.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -67.18 -38.52 85.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.099 -1.001 . . . . 0.0 109.788 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.72 -49.01 69.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.931 -1.106 . . . . 0.0 110.061 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -58.86 -47.8 83.61 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.079 -1.013 . . . . 0.0 109.044 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.31 -36.54 66.31 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 109.724 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 36.6 mmm -76.21 -33.95 59.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.314 -0.866 . . . . 0.0 109.134 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.412 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.4 -37.94 83.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.013 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.97 -55.16 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.182 -0.948 . . . . 0.0 110.398 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.8 -29.75 55.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 110.819 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.77 -41.94 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.346 0 O-C-N 120.605 -1.309 . . . . 0.0 109.912 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 6.6 m-85 -57.37 -47.13 82.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.269 -1.519 . . . . 0.0 109.719 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.93 -28.21 67.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.619 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.37 78.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.092 -1.005 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.436 HD12 ' HE ' ' A' ' 78' ' ' ARG . 17.4 pt -85.96 18.94 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 t30 58.88 77.97 0.28 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.58 -0.7 . . . . 0.0 110.604 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HE ' HD12 ' A' ' 76' ' ' ILE . 35.4 mtt-85 -154.01 36.04 0.44 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -48.05 -29.22 3.35 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.469 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.16 -29.2 63.44 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.966 -1.084 . . . . 0.0 109.324 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -72.11 -26.23 62.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -71.96 -34.74 69.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.722 -1.236 . . . . 0.0 108.573 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -66.42 -44.33 83.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.958 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.91 -36.8 62.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.124 -0.985 . . . . 0.0 109.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.25 69.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.37 -27.63 64.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.03 -30.48 28.05 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.838 -1.164 . . . . 0.0 110.17 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.92 -2.93 55.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.129 -0.982 . . . . 0.0 109.475 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.8 pt-20 -56.03 122.72 49.46 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.218 -0.926 . . . . 0.0 109.113 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.2 153.35 70.35 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 N-CA-C 109.482 -1.007 . . . . 0.0 109.482 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.311 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.41 97.26 0.69 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.33 -0.856 . . . . 0.0 109.349 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -73.98 144.45 45.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -69.44 -14.24 62.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.306 -0.871 . . . . 0.0 109.022 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.41 -47.73 80.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.235 -0.916 . . . . 0.0 109.746 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 p -70.69 -30.9 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.003 . . . . 0.0 109.684 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.56 -46.34 69.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 110.022 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.35 -37.39 80.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.151 -0.968 . . . . 0.0 109.521 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.62 74.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 10' ' ' ARG . 3.7 ttt-85 -59.18 -33.55 71.08 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.474 -0.766 . . . . 0.0 109.62 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.56 -53.8 7.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.063 -1.023 . . . . 0.0 110.21 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -63.73 -26.47 68.66 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.032 -1.043 . . . . 0.0 109.276 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -81.12 -26.78 35.9 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.341 -0.85 . . . . 0.0 109.09 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.13 -2.72 25.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -87.19 161.23 18.17 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.72 -1.238 . . . . 0.0 109.441 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -70.32 161.35 30.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.473 -0.767 . . . . 0.0 109.83 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.44 -47.38 85.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.111 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.14 -38.61 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.475 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 35.8 t0 -72.7 -29.43 63.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.877 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.05 -36.28 79.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.979 -1.076 . . . . 0.0 108.688 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -72.42 -42.31 65.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -62.98 -48.83 77.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.286 -0.883 . . . . 0.0 109.24 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CE2' HG21 ' A' ' 72' ' ' ILE . 28.8 t80 -57.04 -38.01 72.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.336 -0.852 . . . . 0.0 109.379 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.07 -41.41 67.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.514 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.59 -42.22 87.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 0.0 110.085 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -70.21 -31.31 68.69 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.993 -1.067 . . . . 0.0 109.702 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.28 -52.35 19.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.994 -1.066 . . . . 0.0 110.013 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' CD ' HH12 ' A' ' 41' ' ' ARG . 2.4 pp20? -67.53 -34.04 76.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.922 -1.111 . . . . 0.0 109.61 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 24.8 t0 -74.5 12.56 0.76 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.97 118.93 36.93 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 108.557 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -69.98 145.89 57.2 Favored 'Trans proline' 0 CA--C 1.555 1.551 0 N-CA-C 109.198 -1.116 . . . . 0.0 109.198 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.63 152.41 81.81 Favored 'Trans proline' 0 N--CA 1.48 0.691 0 N-CA-C 109.141 -1.138 . . . . 0.0 109.141 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -111.59 -44.51 3.49 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.03 74.11 0.29 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 109.444 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.21 8.02 87.58 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.3 150.65 25.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -1.172 . . . . 0.0 109.444 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 tt -99.75 107.48 46.33 Favored Pre-proline 0 N--CA 1.504 2.233 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.38 155.13 63.97 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 N-CA-C 109.561 -0.976 . . . . 0.0 109.561 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.6 mp -71.64 120.14 78.2 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -52.86 133.94 52.93 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 119.891 0.997 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.494 HH12 ' CD ' ' A' ' 28' ' ' GLU . 23.6 ttm-85 -64.39 -35.49 81.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.389 -0.82 . . . . 0.0 109.855 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.99 -38.95 96.09 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.705 -1.236 . . . . 0.0 110.334 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -74.9 -49.28 20.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.853 -1.381 . . . . 0.0 109.87 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.8 m -64.79 -36.43 84.29 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.223 -0.923 . . . . 0.0 109.854 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -68.29 -42.86 78.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.973 -1.079 . . . . 0.0 108.982 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.85 -15.93 57.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 109.2 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.27 128.19 35.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.32 171.42 15.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.213 -0.929 . . . . 0.0 108.897 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -54.74 -42.83 72.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.043 -1.036 . . . . 0.0 109.808 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.9 t -69.69 -52.48 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.013 -1.055 . . . . 0.0 108.827 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -56.89 -38.26 72.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.02 -46.13 71.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 0.0 109.436 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.57 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.193 -0.942 . . . . 0.0 109.632 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -71.58 -38.97 70.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.181 -0.949 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.1 mp -71.46 -35.9 71.03 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.733 -1.229 . . . . 0.0 109.213 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.1 mtp -71.47 -43.24 66.98 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.009 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.6 mt -77.67 -38.78 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 120.79 -1.194 . . . . 0.0 110.143 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.97 -48.59 17.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 111.673 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.39 -41.63 17.94 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.906 -1.121 . . . . 0.0 112.571 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -92.68 -27.45 17.26 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.576 -1.328 . . . . 0.0 110.158 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.53 161.59 29.1 Favored Glycine 0 N--CA 1.502 3.076 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.72 -34.2 71.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -1.023 . . . . 0.0 110.323 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.28 -52.79 20.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.093 -1.004 . . . . 0.0 110.536 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.26 -40.05 64.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.933 -1.104 . . . . 0.0 110.247 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.6 67.36 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.854 -1.153 . . . . 0.0 110.005 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -64.38 -46.7 82.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.03 -1.044 . . . . 0.0 108.636 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.9 -41.63 64.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.138 -0.977 . . . . 0.0 109.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.9 tpp -70.85 -32.55 69.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.136 -0.977 . . . . 0.0 109.249 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.54 -34.44 77.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 0.0 110.27 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.01 -55.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.058 -1.026 . . . . 0.0 110.577 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -55.23 -30.0 59.14 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 110.933 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG21 ' CE2' ' A' ' 23' ' ' PHE . 52.1 mt -73.2 -40.7 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 120.543 -1.348 . . . . 0.0 109.965 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 10.3 m-85 -56.76 -46.91 81.13 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.231 -1.543 . . . . 0.0 109.689 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -27.91 63.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.84 63.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 110.348 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 76' ' ' ILE . 18.2 pt -85.9 19.32 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.996 -1.065 . . . . 0.0 109.683 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.56 81.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.545 -0.722 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 90.0 mtt180 -156.62 35.99 0.31 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -47.43 -28.84 2.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.553 -0.717 . . . . 0.0 110.549 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -57.0 -32.45 66.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -69.21 -26.23 64.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.394 -0.816 . . . . 0.0 109.642 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.28 -34.11 65.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.803 -1.186 . . . . 0.0 108.696 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.58 -43.5 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -75.83 -35.9 59.83 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.914 -1.116 . . . . 0.0 109.888 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.07 70.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 110.386 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -65.84 -28.31 68.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.93 -1.106 . . . . 0.0 108.983 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -73.86 -27.67 61.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.125 -0.984 . . . . 0.0 109.917 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -97.22 -9.34 27.93 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.19 -0.944 . . . . 0.0 110.05 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.32 109.89 1.89 Allowed Pre-proline 0 N--CA 1.504 2.247 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.531 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.35 159.31 48.02 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 109.174 -1.125 . . . . 0.0 109.174 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.5 tttm . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.7 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.96 97.48 0.23 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 0.0 109.49 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -69.88 160.97 30.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.237 -0.914 . . . . 0.0 109.201 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -68.73 -38.29 80.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.122 -0.986 . . . . 0.0 108.837 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.76 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -59.34 -32.89 70.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 109.211 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.76 -47.17 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.703 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.6 -33.09 74.84 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.003 -1.06 . . . . 0.0 109.656 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.15 95.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.165 -0.96 . . . . 0.0 110.082 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.66 -32.98 71.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.141 -0.974 . . . . 0.0 109.684 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.37 -46.67 63.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.214 -0.929 . . . . 0.0 109.463 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.38 -26.06 62.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 109.095 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.43 -28.01 34.44 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.187 -0.945 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -61.91 -13.74 27.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.908 -1.12 . . . . 0.0 109.913 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.18 -178.46 3.91 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.64 160.21 15.5 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.17 -47.63 82.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.64 -39.74 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.091 -1.005 . . . . 0.0 109.35 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.82 -29.04 68.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.072 -1.017 . . . . 0.0 108.838 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -64.93 -31.58 72.88 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -74.64 -43.47 55.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.285 -0.885 . . . . 0.0 110.834 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 28.2 mtmm -67.23 -28.07 67.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.863 -1.148 . . . . 0.0 109.852 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.81 -47.07 61.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.867 -1.146 . . . . 0.0 109.744 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -68.05 -40.62 82.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.973 -1.079 . . . . 0.0 109.537 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.06 -33.93 65.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 109.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -66.92 -47.25 72.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.89 -31.05 62.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.46 -14.54 57.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.0 109.322 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -152.57 55.82 0.8 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.025 -1.047 . . . . 0.0 109.644 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -76.24 136.51 68.85 Favored Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -63.97 145.46 90.01 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 N-CA-C 109.251 -1.096 . . . . 0.0 109.251 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.04 147.37 88.83 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 N-CA-C 109.21 -1.111 . . . . 0.0 109.21 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -111.44 -44.69 3.49 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.627 -0.671 . . . . 0.0 109.19 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -162.83 55.42 0.2 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.376 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.87 18.25 60.06 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -58.79 150.81 22.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -1.073 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.6 mt -89.95 112.6 53.18 Favored Pre-proline 0 N--CA 1.503 2.185 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -63.53 138.37 64.65 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 CA-C-N 120.057 1.056 . . . . 0.0 109.434 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.9 mp -71.62 120.19 78.46 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -54.3 133.87 58.1 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-N 119.933 1.012 . . . . 0.0 109.873 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -63.48 -31.86 73.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.366 -0.834 . . . . 0.0 109.498 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 -38.9 93.48 Favored Glycine 0 N--CA 1.504 3.207 0 C-N-CA 119.589 -1.291 . . . . 0.0 109.878 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -75.78 -33.29 60.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.833 -1.392 . . . . 0.0 109.654 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 m -75.17 -48.51 23.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.299 -0.876 . . . . 0.0 110.624 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.0 -41.85 83.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.782 -1.199 . . . . 0.0 109.503 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.51 -17.07 61.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.994 -1.066 . . . . 0.0 109.526 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.5 29.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.989 . . . . 0.0 109.689 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.49 170.35 16.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.324 -0.86 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -50.36 -47.53 56.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.196 -0.94 . . . . 0.0 110.833 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.24 -37.37 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 120.965 -1.084 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -71.63 -38.23 70.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.203 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -55.87 -51.19 68.42 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.793 -1.192 . . . . 0.0 109.211 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.78 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.143 -0.973 . . . . 0.0 109.555 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.0 m -72.13 -33.64 67.95 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.283 -0.886 . . . . 0.0 110.227 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.2 -34.11 68.14 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.0 -1.062 . . . . 0.0 109.237 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mtp -65.87 -43.17 89.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.266 -0.896 . . . . 0.0 110.113 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.8 pt -79.24 -40.21 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 O-C-N 120.868 -1.145 . . . . 0.0 110.59 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.0 -42.46 48.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.026 -1.046 . . . . 0.0 111.339 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -77.63 -42.46 34.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.853 -1.154 . . . . 0.0 111.891 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -97.91 -27.05 14.45 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.885 -1.134 . . . . 0.0 110.114 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.49 156.58 10.24 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.84 -44.12 81.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.272 -1.134 . . . . 0.0 109.549 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 21.3 mp0 -71.59 -47.52 54.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.167 -0.958 . . . . 0.0 110.135 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -59.79 -38.07 80.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.034 . . . . 0.0 109.998 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.93 99.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.025 -1.047 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -60.14 -36.1 76.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.923 -1.111 . . . . 0.0 109.611 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.03 82.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.988 -1.07 . . . . 0.0 110.112 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 79.8 mtp -76.11 -32.18 59.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.055 -1.028 . . . . 0.0 108.993 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.64 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.495 -0.753 . . . . 0.0 110.523 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 71' ' ' TRP . 30.2 m -75.66 -39.75 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.035 -1.04 . . . . 0.0 110.514 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.432 ' N ' HG23 ' A' ' 70' ' ' VAL . 84.0 t90 -67.72 -30.13 69.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.01 -1.056 . . . . 0.0 110.349 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.1 mt -73.03 -41.41 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.704 -1.248 . . . . 0.0 109.644 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -56.9 -46.98 81.56 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.375 -1.453 . . . . 0.0 109.701 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.96 68.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.921 -1.112 . . . . 0.0 109.675 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.78 70.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.159 -0.963 . . . . 0.0 110.428 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 pt -79.11 19.76 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.056 -1.027 . . . . 0.0 109.774 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m120 57.9 65.32 1.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.68 -0.638 . . . . 0.0 110.431 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.482 HH21 ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -138.58 47.28 1.97 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.633 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 79' ' ' ARG . 2.1 mmt-85 -46.66 -28.54 1.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.658 -0.651 . . . . 0.0 110.952 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.482 ' CG ' HH21 ' A' ' 78' ' ' ARG . 13.5 p-10 -53.37 -35.03 59.85 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.932 -1.105 . . . . 0.0 109.899 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.02 -26.12 62.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.156 -0.965 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -68.01 -34.43 76.49 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.798 -1.189 . . . . 0.0 109.572 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.17 -45.63 55.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.081 -1.012 . . . . 0.0 110.088 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -74.73 -52.06 12.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.052 -1.03 . . . . 0.0 110.177 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.66 -42.17 67.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.01 -27.66 63.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.957 . . . . 0.0 109.734 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -88.14 -27.21 22.04 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.897 -1.127 . . . . 0.0 110.501 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -96.19 -2.62 45.9 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.197 -0.939 . . . . 0.0 110.132 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.56 122.92 48.0 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 120.912 -1.117 . . . . 0.0 109.051 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -63.78 148.34 92.04 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.7 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.5 111.09 0.9 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.238 -0.913 . . . . 0.0 109.427 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -69.83 144.52 52.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.297 -0.877 . . . . 0.0 109.157 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -34.2 73.47 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.22 -0.925 . . . . 0.0 108.821 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 5' ' ' ARG . 8.5 mtt-85 -55.59 -39.68 71.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.604 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.06 -27.26 67.96 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.317 -0.864 . . . . 0.0 109.445 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' NZ ' HH11 ' A' ' 10' ' ' ARG . 8.9 mmpt? -70.81 -52.09 22.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 8' ' ' LEU . 11.2 mp -54.88 -33.34 61.85 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.07 72.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -0.978 . . . . 0.0 109.364 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.502 HH11 ' NZ ' ' A' ' 7' ' ' LYS . 55.5 mtp180 -74.44 -33.33 62.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 109.993 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -75.51 -54.38 7.1 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.002 -1.061 . . . . 0.0 110.234 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.18 -26.29 64.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 108.919 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -81.78 -28.1 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.125 -0.985 . . . . 0.0 109.358 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.84 -1.61 4.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.003 -1.061 . . . . 0.0 109.839 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.35 156.11 17.17 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.247 -0.908 . . . . 0.0 109.335 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.42 159.28 27.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.334 -0.854 . . . . 0.0 109.55 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -47.39 82.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 109.848 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -59.58 -39.5 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.018 -1.051 . . . . 0.0 109.41 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' NH2' ' A' ' 78' ' ' ARG . 7.1 t70 -66.15 -29.5 69.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.068 -1.02 . . . . 0.0 109.116 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.02 -39.48 94.2 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.224 -0.923 . . . . 0.0 108.726 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -61.16 -40.36 93.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 0.0 109.679 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.1 -30.88 71.32 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.34 -42.57 87.94 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.883 -1.135 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.35 -49.09 45.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.009 -1.057 . . . . 0.0 108.592 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 ttt -55.79 -33.85 64.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.77 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -64.02 -43.88 94.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.215 -0.928 . . . . 0.0 109.354 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -74.19 -31.95 62.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.024 -1.048 . . . . 0.0 109.255 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.43 -35.28 80.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 109.511 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -99.03 27.89 4.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.369 -0.832 . . . . 0.0 109.265 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -61.09 125.78 84.53 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 108.628 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -64.42 133.88 39.28 Favored 'Trans proline' 0 CA--C 1.559 1.74 0 N-CA-C 109.005 -1.19 . . . . 0.0 109.005 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -66.03 138.07 50.89 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -110.22 18.65 19.72 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.562 -0.711 . . . . 0.0 109.19 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 54.77 56.68 6.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.333 -0.855 . . . . 0.0 109.526 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.63 -46.29 0.3 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.17 151.03 47.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -1.093 . . . . 0.0 109.283 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.32 108.92 50.15 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.42 137.78 62.09 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 N-CA-C 109.418 -1.031 . . . . 0.0 109.418 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.5 mp -78.86 119.8 78.56 Favored Pre-proline 0 N--CA 1.496 1.83 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.53 150.64 41.95 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 CA-C-N 119.896 0.998 . . . . 0.0 109.703 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -64.46 -43.37 94.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 0.0 109.77 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.57 -25.91 22.32 Favored Glycine 0 N--CA 1.505 3.281 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.312 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -75.1 -39.69 60.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.892 -1.358 . . . . 0.0 109.671 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -69.62 -38.51 77.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.183 -0.948 . . . . 0.0 110.042 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.68 -41.94 99.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 109.685 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -80.68 -13.32 59.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.728 -1.232 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.98 110.01 6.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.261 -0.899 . . . . 0.0 109.81 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.35 170.66 16.09 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.556 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.3 p-80 -49.49 -41.32 40.31 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.012 -1.055 . . . . 0.0 110.339 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.32 -51.1 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.123 -0.986 . . . . 0.0 109.2 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -59.5 -35.8 74.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.642 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.9 tt -55.18 -52.51 63.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -28.82 69.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.017 -1.052 . . . . 0.0 109.865 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.5 m -74.19 -34.74 63.85 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.176 -0.953 . . . . 0.0 110.355 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.38 -34.55 70.52 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.893 -1.129 . . . . 0.0 109.077 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.9 mmm -69.39 -41.64 76.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.38 -40.76 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.863 -1.148 . . . . 0.0 110.289 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.34 -47.8 19.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.794 -1.191 . . . . 0.0 111.856 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -76.56 -42.35 43.11 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.879 -1.138 . . . . 0.0 112.617 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -97.13 -27.97 14.33 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.655 -1.278 . . . . 0.0 110.625 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.19 165.8 23.89 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -70.82 -41.84 71.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.524 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -70.54 -44.55 67.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.895 -1.128 . . . . 0.0 111.042 -178.775 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 20.3 tptp -72.94 -37.86 66.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.78 -1.2 . . . . 0.0 109.826 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.71 73.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.061 -1.024 . . . . 0.0 109.863 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -63.51 -43.25 97.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 108.711 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.16 81.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.0 109.754 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.7 mtp -76.07 -32.62 59.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.258 -0.901 . . . . 0.0 109.545 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -68.5 -42.92 77.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 110.139 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -75.67 -48.92 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.198 -0.939 . . . . 0.0 110.19 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -59.17 -29.57 67.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.0 110.646 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.0 mt -72.05 -42.78 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 O-C-N 120.53 -1.356 . . . . 0.0 109.625 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 3.9 m-85 -56.35 -46.69 79.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.336 -1.477 . . . . 0.0 109.891 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.9 -27.95 67.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.908 -1.12 . . . . 0.0 109.655 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.186 -0.946 . . . . 0.0 110.283 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.418 HD12 ' HE ' ' A' ' 78' ' ' ARG . 1.7 pt -86.58 20.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.092 -1.005 . . . . 0.0 109.019 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 55.84 82.94 0.1 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.537 0.684 . . . . 0.0 110.574 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH2' ' OD2' ' A' ' 19' ' ' ASP . 53.0 mtt-85 -152.05 30.85 0.56 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -47.63 -28.53 2.4 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.519 . . . . 0.0 111.423 -179.309 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.08 -53.53 48.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.881 -1.137 . . . . 0.0 110.404 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -26.38 62.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.067 -1.021 . . . . 0.0 109.636 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -67.44 -36.25 80.82 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.688 -1.257 . . . . 0.0 107.997 179.346 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -60.45 -40.66 91.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 108.924 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.31 -47.25 35.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.337 -0.852 . . . . 0.0 109.329 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 88' ' ' ASP . . . -56.83 -28.61 61.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.965 . . . . 0.0 109.471 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -66.39 -27.15 67.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.016 -1.052 . . . . 0.0 109.398 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -80.5 -27.37 37.75 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 110.646 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -78.41 -3.03 41.24 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.798 -1.189 . . . . 0.0 109.393 -179.295 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.23 116.48 16.17 Favored Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.79 143.22 99.66 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 N-CA-C 109.394 -1.041 . . . . 0.0 109.394 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.405 179.745 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.5 146.39 50.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.565 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -69.96 133.7 47.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.102 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -69.97 -32.62 70.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 1.6 mpt_? -55.82 -37.82 69.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.325 -0.859 . . . . 0.0 109.308 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 t -65.74 -30.81 71.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.363 -0.836 . . . . 0.0 109.135 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -73.77 -51.89 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.426 -0.796 . . . . 0.0 110.025 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.22 -36.14 81.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.75 -1.219 . . . . 0.0 109.424 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.66 83.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.103 -0.998 . . . . 0.0 108.76 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.23 -33.68 67.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.094 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 27.9 m-85 -77.33 -55.75 5.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.209 -0.932 . . . . 0.0 110.482 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.73 -26.2 68.57 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.032 -1.043 . . . . 0.0 109.215 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -81.35 -24.52 37.03 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.488 -0.757 . . . . 0.0 109.959 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.61 -3.75 56.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.938 -1.101 . . . . 0.0 110.594 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.09 165.42 16.63 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.488 -1.383 . . . . 0.0 109.272 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -65.43 149.62 49.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.433 -0.792 . . . . 0.0 109.67 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -57.2 -45.52 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.05 -33.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 108.988 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.33 -29.2 62.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.964 -1.085 . . . . 0.0 108.943 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.27 -43.39 98.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.334 -0.853 . . . . 0.0 109.087 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -67.11 -34.06 76.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.0 109.779 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.95 -27.77 66.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 0.0 109.221 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.403 ' CE2' HG21 ' A' ' 72' ' ' ILE . 34.9 t80 -71.09 -42.69 69.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.998 -1.064 . . . . 0.0 110.101 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.32 -46.42 55.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.922 -1.111 . . . . 0.0 109.899 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ttt -56.63 -36.24 69.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.137 -0.977 . . . . 0.0 109.777 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -69.53 -40.5 76.84 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.164 -0.96 . . . . 0.0 109.536 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -74.29 -33.42 63.24 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.068 -1.02 . . . . 0.0 108.911 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.4 -35.23 80.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 0.0 109.666 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -99.58 36.86 1.69 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.242 -0.912 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -65.44 136.12 96.14 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.72 148.88 90.35 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -65.01 143.09 77.65 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -111.34 3.38 18.23 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.576 -0.702 . . . . 0.0 109.113 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt 53.97 66.44 1.23 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.675 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 -66.23 0.23 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -67.22 150.83 48.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.495 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -83.88 114.78 56.23 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.36 144.24 91.89 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 CA-C-N 120.127 1.081 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.3 mp -71.62 119.4 73.82 Favored Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.15 140.71 87.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.939 1.014 . . . . 0.0 109.669 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -64.26 -31.99 73.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.56 96.51 Favored Glycine 0 N--CA 1.504 3.217 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.131 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -75.96 -44.58 39.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.716 -1.461 . . . . 0.0 109.856 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.2 m -65.61 -47.95 73.95 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.28 -0.887 . . . . 0.0 110.983 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.0 -44.37 91.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.709 -1.245 . . . . 0.0 109.631 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -74.33 -18.44 60.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.884 -1.135 . . . . 0.0 109.748 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.05 119.5 10.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.027 -1.045 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.34 179.68 7.56 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -54.02 -45.11 71.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 110.309 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.23 -48.98 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.988 -1.07 . . . . 0.0 109.378 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -37.42 85.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 110.281 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.8 mt -55.92 -51.15 68.64 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.856 -1.153 . . . . 0.0 109.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -28.7 69.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.537 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 m -70.45 -37.44 74.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.305 -0.872 . . . . 0.0 110.37 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.18 -35.22 68.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.009 -1.057 . . . . 0.0 109.371 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.8 tpp -64.44 -42.13 96.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.231 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.45 -37.6 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.963 -1.085 . . . . 0.0 110.63 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -75.67 -51.63 12.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.82 -1.175 . . . . 0.0 111.501 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.25 -42.61 59.41 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.734 -1.229 . . . . 0.0 111.964 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -94.48 -27.95 15.72 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.514 -1.366 . . . . 0.0 110.548 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.85 155.14 11.42 Favored Glycine 0 N--CA 1.506 3.309 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -69.12 -40.1 78.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -1.171 . . . . 0.0 109.594 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 23.9 mp0 -71.52 -46.77 58.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.176 -0.952 . . . . 0.0 110.178 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.24 -37.66 81.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.031 -1.043 . . . . 0.0 109.317 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.51 68.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.965 -1.085 . . . . 0.0 109.622 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' CD1' ' A' ' 66' ' ' TRP . 36.4 m0 -61.36 -35.11 76.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 0.0 109.237 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.49 81.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.295 -0.878 . . . . 0.0 109.573 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 43.9 mmm -76.12 -32.37 59.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.142 -0.974 . . . . 0.0 108.672 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -67.13 -44.24 80.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.418 -0.801 . . . . 0.0 110.619 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 71' ' ' TRP . 35.9 m -71.9 -39.34 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 120.985 -1.072 . . . . 0.0 110.414 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.409 ' N ' HG23 ' A' ' 70' ' ' VAL . 76.7 t90 -65.29 -30.1 70.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.048 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.403 HG21 ' CE2' ' A' ' 23' ' ' PHE . 5.5 mm -72.82 -38.34 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 120.725 -1.234 . . . . 0.0 109.217 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 4.5 m-30 -56.93 -47.15 81.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.539 -1.35 . . . . 0.0 109.955 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.96 68.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.93 -1.106 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -66.69 -46.82 74.37 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.193 -0.942 . . . . 0.0 110.471 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.53 19.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.052 -1.03 . . . . 0.0 108.743 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' H ' ' C ' ' A' ' 75' ' ' ALA . 1.9 m120 55.44 66.98 1.08 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 78' ' ' ARG . 24.9 mtt-85 -142.83 39.96 1.51 Allowed 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -47.64 -29.09 2.7 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.48 -34.09 70.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.911 -1.118 . . . . 0.0 109.295 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.69 -26.11 66.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 109.711 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.64 -37.76 67.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.763 -1.211 . . . . 0.0 108.954 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.06 -47.49 84.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.097 -1.002 . . . . 0.0 109.546 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -75.14 -49.06 20.75 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.089 -1.007 . . . . 0.0 109.963 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.14 65.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 0.0 110.323 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -54.95 -27.46 43.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.345 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -84.74 -15.46 45.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.797 -1.189 . . . . 0.0 110.786 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 t70 -95.32 -12.72 25.63 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.964 -1.085 . . . . 0.0 110.634 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -59.5 116.13 15.22 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 108.355 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.1 143.84 95.22 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 N-CA-C 109.317 -1.07 . . . . 0.0 109.317 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.389 179.888 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ttt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.478 0.656 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.62 122.7 11.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.146 -0.971 . . . . 0.0 109.82 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -70.04 144.8 52.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.488 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -70.63 -16.19 62.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.25 -51.08 71.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.381 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.18 -26.07 67.23 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -69.95 -48.85 56.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 110.031 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -60.85 -40.94 94.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.993 -1.067 . . . . 0.0 109.607 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.89 79.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 108.659 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -57.92 -33.53 68.88 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.454 -0.779 . . . . 0.0 109.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.74 -54.61 6.16 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.007 -1.058 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.75 -26.9 68.93 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.884 -1.135 . . . . 0.0 108.964 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -81.69 -24.54 36.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -79.36 -3.48 46.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.037 -1.04 . . . . 0.0 110.511 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 157.12 20.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.572 -1.33 . . . . 0.0 109.34 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 9.2 mp0 -67.62 156.91 35.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.485 -0.76 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.77 -40.07 82.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 19' ' ' ASP . 14.0 p -61.07 -40.52 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.066 -1.021 . . . . 0.0 109.679 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' VAL . 8.0 t70 -72.96 -29.36 63.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.029 -1.044 . . . . 0.0 109.506 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.01 -36.75 77.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.144 -0.972 . . . . 0.0 109.335 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.31 -39.22 59.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.163 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.0 -28.3 66.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.077 -1.014 . . . . 0.0 109.431 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.38 -47.85 38.76 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -70.2 -45.79 65.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.893 -1.129 . . . . 0.0 109.113 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.3 ttt -52.56 -33.76 47.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.882 . . . . 0.0 109.604 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD1' ' C ' ' A' ' 26' ' ' HIS . 2.6 t-80 -66.9 -42.47 85.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.364 -0.835 . . . . 0.0 109.207 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.91 -32.01 63.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.062 -1.024 . . . . 0.0 109.607 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.39 -14.21 60.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.033 . . . . 0.0 109.966 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.55 48.36 1.64 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.279 -0.888 . . . . 0.0 109.89 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 78.0 t80 -76.58 119.57 77.94 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.0 108.431 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 5.6 Cg_endo -65.41 162.42 33.79 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 CA-C-N 119.946 1.016 . . . . 0.0 109.46 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -66.93 133.31 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.13 1.22 . . . . 0.0 109.467 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -111.65 -45.69 3.34 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.525 -0.734 . . . . 0.0 109.131 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 6.3 ttpm? -171.84 79.35 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.351 -0.843 . . . . 0.0 109.538 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.52 20.82 64.04 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.1 p -69.51 137.22 52.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.126 -1.22 . . . . 0.0 109.263 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 37' ' ' ILE . 16.1 tt -82.62 121.99 78.31 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.934 -1.104 . . . . 0.0 108.817 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -68.07 140.59 50.17 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 119.778 0.956 . . . . 0.0 109.692 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.04 120.19 80.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -53.0 143.86 48.07 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 119.951 1.018 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -64.74 -45.77 85.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.189 -0.944 . . . . 0.0 109.85 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.91 -24.74 65.08 Favored Glycine 0 N--CA 1.504 3.222 0 C-N-CA 119.651 -1.262 . . . . 0.0 109.99 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -72.92 -52.07 16.09 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.037 -1.273 . . . . 0.0 110.095 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 93.4 m -76.12 -51.23 12.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.058 -1.026 . . . . 0.0 110.847 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.29 -44.08 68.0 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.841 -1.162 . . . . 0.0 110.586 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.13 -9.84 59.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.582 -1.323 . . . . 0.0 109.521 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 44' ' ' THR . . . -78.18 128.09 33.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.22 171.31 15.24 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -51.81 -49.88 61.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.47 -49.06 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 120.9 -1.125 . . . . 0.0 108.969 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.14 -34.51 73.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.245 -0.909 . . . . 0.0 109.843 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.14 -51.18 65.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.897 -1.127 . . . . 0.0 109.037 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.75 68.97 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.164 -0.96 . . . . 0.0 110.103 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 m -76.9 -35.62 57.26 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.945 -1.097 . . . . 0.0 110.704 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.13 -34.06 68.27 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.814 -1.179 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.4 mtp -68.96 -42.17 77.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.402 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.7 -39.51 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.99 -39.98 48.42 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.892 -1.13 . . . . 0.0 111.486 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -81.95 -42.4 19.49 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.83 -1.169 . . . . 0.0 112.326 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.96 -27.14 15.81 Favored 'General case' 0 N--CA 1.51 2.542 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.82 169.19 28.57 Favored Glycine 0 N--CA 1.502 3.093 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -71.07 -35.6 71.94 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.404 -1.057 . . . . 0.0 110.867 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.72 -52.76 16.14 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.027 -1.046 . . . . 0.0 110.926 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -73.23 -38.79 65.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.864 -1.147 . . . . 0.0 110.916 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.46 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.866 -1.146 . . . . 0.0 110.971 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.48 -35.08 76.66 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.941 -1.1 . . . . 0.0 108.786 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.26 81.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.081 -1.012 . . . . 0.0 108.966 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.6 mmm -76.03 -42.57 47.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.371 -0.831 . . . . 0.0 109.113 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -56.63 -45.69 81.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.023 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.41 -45.28 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.154 -0.966 . . . . 0.0 110.238 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -60.98 -31.05 70.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.03 -1.044 . . . . 0.0 110.486 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.2 mt -72.87 -37.28 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.369 0 O-C-N 120.585 -1.322 . . . . 0.0 109.463 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-30 -56.85 -46.92 81.42 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.488 -1.382 . . . . 0.0 109.668 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.46 -27.98 67.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.97 -1.081 . . . . 0.0 109.868 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.33 -47.1 77.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.145 -0.972 . . . . 0.0 109.967 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.5 19.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.015 -1.053 . . . . 0.0 108.193 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 t30 56.67 11.37 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.541 -0.724 . . . . 0.0 109.899 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.95 51.83 0.52 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.113 -0.992 . . . . 0.0 108.985 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -62.47 -29.22 70.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.23 -48.66 80.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.928 -1.107 . . . . 0.0 110.159 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.95 -25.91 61.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 110.05 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -74.41 -37.92 63.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.25 -43.88 92.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -74.89 -47.16 31.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.288 -0.883 . . . . 0.0 109.52 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.79 68.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.621 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.6 -27.3 67.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -82.41 -31.86 29.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.789 -1.194 . . . . 0.0 110.452 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -98.99 -10.05 23.18 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.14 -0.975 . . . . 0.0 110.462 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -76.66 124.46 87.76 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.747 -1.221 . . . . 0.0 108.282 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.35 140.82 90.23 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 N-CA-C 109.19 -1.119 . . . . 0.0 109.19 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt . . . . . 0 N--CA 1.503 2.208 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.077 179.741 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.39 97.26 0.19 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -72.7 143.94 47.87 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.352 -0.843 . . . . 0.0 109.199 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.0 m -64.47 -20.62 66.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.887 . . . . 0.0 109.162 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -68.57 -50.83 48.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.603 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -72.81 -33.89 66.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.23 -0.919 . . . . 0.0 109.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.88 -45.05 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.258 -0.901 . . . . 0.0 110.286 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -72.86 -37.16 67.46 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.947 -1.095 . . . . 0.0 109.338 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.18 89.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.988 -1.07 . . . . 0.0 108.946 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -63.14 -32.6 74.03 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.467 -0.771 . . . . 0.0 109.2 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -54.61 40.09 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 109.229 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.4 -25.21 59.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.101 -0.999 . . . . 0.0 108.99 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 15.5 mm-40 -80.75 -21.49 41.04 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.234 -0.916 . . . . 0.0 108.933 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -69.98 0.27 6.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.0 109.764 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 mt -89.6 167.32 13.04 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.04 -1.038 . . . . 0.0 109.371 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.46 152.63 40.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.305 -0.872 . . . . 0.0 109.943 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.0 -43.72 73.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.5 -32.12 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 108.803 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.42 -29.54 62.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.028 -1.045 . . . . 0.0 109.817 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.04 -38.06 89.66 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.944 -1.098 . . . . 0.0 108.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.64 -41.1 55.02 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.179 -0.951 . . . . 0.0 110.833 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 97.0 mttt -75.29 -31.02 60.57 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.886 -1.134 . . . . 0.0 110.533 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -69.88 -47.58 62.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.753 -1.217 . . . . 0.0 109.706 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -63.73 -48.12 78.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.016 -1.052 . . . . 0.0 109.949 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.398 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -62.03 -33.08 73.7 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.942 -1.099 . . . . 0.0 109.938 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.46 -32.32 71.29 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.929 -1.107 . . . . 0.0 109.973 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 28' ' ' GLU . 4.1 mp0 -82.91 -17.24 44.38 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.916 -1.115 . . . . 0.0 109.59 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.97 -16.75 63.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.656 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -76.38 119.25 76.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.801 -1.187 . . . . 0.0 109.628 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -65.66 166.71 19.17 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 108.836 -1.255 . . . . 0.0 108.836 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.48 132.9 54.63 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 N-CA-C 109.295 -1.079 . . . . 0.0 109.295 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -100.72 19.56 16.86 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 tttm 55.91 38.68 30.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.952 -1.093 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.8 48.5 0.02 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.8 t -165.62 151.32 9.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.342 -1.093 . . . . 0.0 109.17 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.21 96.48 35.19 Favored Pre-proline 0 N--CA 1.503 2.185 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -59.87 138.62 83.71 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 N-CA-C 109.582 -0.968 . . . . 0.0 109.582 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.4 mm? -74.08 119.11 74.64 Favored Pre-proline 0 N--CA 1.49 1.541 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.92 139.78 79.03 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 CA-C-N 119.945 1.016 . . . . 0.0 109.679 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -61.56 -50.47 72.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.213 -0.929 . . . . 0.0 109.698 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.42 -26.34 44.27 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -75.05 -40.0 60.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.29 . . . . 0.0 109.659 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -68.45 -44.29 75.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 0.0 109.907 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.28 -40.35 81.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.079 -1.013 . . . . 0.0 109.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -74.02 -17.66 60.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.825 -1.172 . . . . 0.0 109.314 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.89 132.82 38.11 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.189 -0.945 . . . . 0.0 109.525 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.35 173.69 12.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' OE2' ' A' ' 13' ' ' GLU . 32.7 m170 -58.29 -49.44 77.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.84 -46.12 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.054 -1.029 . . . . 0.0 108.497 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.47 -36.81 76.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.299 -0.876 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.73 -51.43 63.33 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.086 . . . . 0.0 109.022 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.49 65.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 0.0 109.863 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.5 m -72.46 -40.09 67.26 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.011 -1.056 . . . . 0.0 110.99 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.81 -36.54 73.02 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.67 -1.269 . . . . 0.0 109.147 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 68.0 mmm -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.347 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -78.26 -35.6 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.936 -1.103 . . . . 0.0 110.348 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -76.78 -52.02 10.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.709 -1.244 . . . . 0.0 111.846 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.95 -42.26 63.59 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.69 -1.256 . . . . 0.0 112.222 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.85 -28.05 14.9 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.549 -1.344 . . . . 0.0 111.203 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 165.97 29.05 Favored Glycine 0 N--CA 1.505 3.265 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.97 -33.23 70.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -1.191 . . . . 0.0 110.601 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -72.1 -53.27 13.28 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.003 -1.061 . . . . 0.0 110.505 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -71.45 -39.1 71.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.954 -1.091 . . . . 0.0 110.147 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.35 68.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.883 -1.135 . . . . 0.0 109.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -58.98 -45.91 89.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.34 75.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 109.837 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 mmm -75.44 -32.63 60.74 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.162 -0.961 . . . . 0.0 109.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.48 -45.99 64.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.225 -0.922 . . . . 0.0 110.43 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 71' ' ' TRP . 17.3 m -75.85 -47.02 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 120.999 -1.063 . . . . 0.0 110.673 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.548 ' N ' HG23 ' A' ' 70' ' ' VAL . 74.8 t90 -63.56 -29.4 70.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.034 -1.041 . . . . 0.0 110.239 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.25 -40.12 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.691 -1.256 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-85 -56.66 -46.56 80.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.451 -1.406 . . . . 0.0 109.763 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -27.71 58.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.849 -1.157 . . . . 0.0 109.495 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -70.82 -42.38 70.32 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 110.39 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 78' ' ' ARG . 1.1 mt -73.26 19.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.977 -1.077 . . . . 0.0 109.353 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 75' ' ' ALA . 70.0 m-20 59.07 1.63 0.22 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 76' ' ' ILE . 38.4 mtt-85 -81.65 57.92 3.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.034 -1.041 . . . . 0.0 108.522 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -56.7 -29.44 62.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.413 -0.805 . . . . 0.0 110.3 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.3 -41.72 69.26 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.981 -1.075 . . . . 0.0 109.914 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -65.75 -26.13 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.317 -0.864 . . . . 0.0 109.291 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -67.76 -33.54 75.05 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.678 -1.263 . . . . 0.0 109.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.04 -43.2 68.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.41 62.64 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.093 -1.004 . . . . 0.0 108.899 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.09 63.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.24 -0.912 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.37 -27.46 64.34 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.223 -0.923 . . . . 0.0 110.023 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -84.41 -28.19 27.07 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.861 -1.15 . . . . 0.0 110.484 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.2 -12.31 50.11 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.952 -1.093 . . . . 0.0 110.145 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -55.12 109.46 1.61 Allowed Pre-proline 0 N--CA 1.505 2.28 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.248 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.66 154.87 62.41 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 N-CA-C 109.651 -0.942 . . . . 0.0 109.651 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.922 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.44 97.19 0.68 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -76.27 131.91 39.53 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.204 -0.935 . . . . 0.0 109.178 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -63.44 -31.37 72.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.905 . . . . 0.0 109.388 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.469 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 70.4 ttt180 -52.62 -37.35 58.22 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.867 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -71.87 -29.41 64.33 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.358 -0.839 . . . . 0.0 109.709 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.23 -52.93 14.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.027 -1.046 . . . . 0.0 109.355 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 57' ' ' ILE . 34.2 mt -53.72 -33.1 54.53 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.899 -1.125 . . . . 0.0 109.653 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.34 72.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.646 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.97 -34.33 62.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 110.476 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -77.36 -50.77 12.06 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.825 -1.172 . . . . 0.0 109.633 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.83 -26.45 65.81 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.135 -0.978 . . . . 0.0 108.661 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.19 -27.7 35.24 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.225 -0.922 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.25 -1.45 4.53 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.168 -0.957 . . . . 0.0 109.605 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.12 155.45 25.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.206 -0.934 . . . . 0.0 108.758 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.48 161.37 27.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.96 -39.77 75.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.15 -39.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.835 -1.166 . . . . 0.0 110.005 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 7.9 p30 -71.96 -28.14 63.24 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.631 -1.293 . . . . 0.0 108.731 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.507 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 34.3 tp -56.08 -50.98 69.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.297 -0.877 . . . . 0.0 109.114 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -60.62 -40.04 90.41 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.537 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' NZ ' ' NE2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -67.31 -27.12 66.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.246 -0.909 . . . . 0.0 109.872 -179.425 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.428 ' CE2' HG21 ' A' ' 72' ' ' ILE . 32.4 t80 -66.63 -43.11 85.59 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.958 -1.089 . . . . 0.0 110.287 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.578 ' HZ1' HD22 ' A' ' 52' ' ' LEU . 3.8 mptp? -65.64 -46.2 80.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.958 -1.089 . . . . 0.0 109.149 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -57.29 -34.3 68.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.898 . . . . 0.0 109.86 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.555 ' NE2' ' NZ ' ' A' ' 22' ' ' LYS . 46.7 m-70 -69.54 -43.01 73.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.72 -36.61 78.65 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.842 -1.161 . . . . 0.0 108.907 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -73.76 -27.44 61.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.095 -1.003 . . . . 0.0 109.341 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.52 8.98 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.338 -0.851 . . . . 0.0 109.996 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 120.19 74.2 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.031 -1.043 . . . . 0.0 108.308 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.19 166.18 13.3 Favored 'Trans proline' 0 CA--C 1.549 1.233 0 CA-C-N 119.986 1.031 . . . . 0.0 109.645 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -63.93 141.68 78.65 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 121.182 1.255 . . . . 0.0 109.536 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -111.57 8.8 21.09 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptp 55.6 47.77 20.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.24 -0.913 . . . . 0.0 109.405 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.08 -64.65 0.17 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.1 m -63.45 129.86 42.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.328 -1.101 . . . . 0.0 109.015 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 pt -82.8 121.66 77.79 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.013 -1.054 . . . . 0.0 108.44 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.14 149.79 82.95 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.921 1.008 . . . . 0.0 109.635 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.0 mp -71.76 119.31 73.46 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 138.33 81.91 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.903 1.001 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.27 -33.75 76.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 109.774 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 -41.58 97.5 Favored Glycine 0 N--CA 1.504 3.219 0 C-N-CA 119.6 -1.286 . . . . 0.0 109.971 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -75.7 -33.94 60.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.795 -1.415 . . . . 0.0 109.67 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.0 m -70.2 -43.04 71.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.257 -0.902 . . . . 0.0 110.424 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -42.53 66.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.823 -1.173 . . . . 0.0 109.698 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -70.68 -17.01 62.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.884 -1.135 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.06 130.64 43.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 109.431 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.19 170.5 16.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.331 -0.856 . . . . 0.0 108.763 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -55.06 -37.47 66.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.35 -52.4 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.122 -0.986 . . . . 0.0 108.806 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -35.18 72.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 0.0 109.687 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.578 HD22 ' HZ1' ' A' ' 24' ' ' LYS . 7.4 tp -59.03 -51.3 70.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.018 -1.051 . . . . 0.0 109.606 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.176 -0.953 . . . . 0.0 109.783 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.469 ' OG1' ' NH2' ' A' ' 5' ' ' ARG . 88.2 m -70.48 -32.3 69.76 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.092 -1.005 . . . . 0.0 109.447 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.29 -34.23 70.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.035 -1.041 . . . . 0.0 108.555 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mmm -71.06 -43.71 67.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 109.612 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 8' ' ' LEU . 65.6 mt -77.87 -32.87 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 120.793 -1.192 . . . . 0.0 110.295 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.69 -52.16 10.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.706 -1.246 . . . . 0.0 112.094 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -81.72 -42.24 20.14 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.632 -1.293 . . . . 0.0 112.563 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -93.21 -27.68 16.73 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.388 -1.445 . . . . 0.0 110.748 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.74 169.67 32.59 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 8.3 tp10 -71.05 -34.77 71.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.171 -1.194 . . . . 0.0 110.423 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.37 -53.01 21.61 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.076 -1.015 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -73.44 -36.62 65.94 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.86 -1.15 . . . . 0.0 110.193 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.47 36.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.789 -1.195 . . . . 0.0 109.825 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.458 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 40.7 m0 -60.15 -38.09 82.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.29 83.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -0.935 . . . . 0.0 109.355 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 13.5 tpp -74.97 -32.22 61.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.267 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.18 69.59 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.836 . . . . 0.0 110.804 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 71' ' ' TRP . 25.4 m -75.68 -43.38 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 120.953 -1.092 . . . . 0.0 110.75 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.49 ' N ' HG23 ' A' ' 70' ' ' VAL . 82.3 t90 -63.38 -30.19 71.37 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.938 -1.101 . . . . 0.0 110.229 -178.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 23' ' ' PHE . 34.7 mt -73.1 -41.01 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.693 -1.254 . . . . 0.0 109.758 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -56.04 -46.81 78.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.492 -1.38 . . . . 0.0 109.828 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.71 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.877 -1.139 . . . . 0.0 109.741 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.08 -47.14 53.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.093 -1.004 . . . . 0.0 110.613 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 pt -84.9 20.37 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.976 -1.077 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 56.94 87.71 0.06 Allowed 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.684 0.754 . . . . 0.0 109.601 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -168.26 32.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -47.41 -27.85 1.86 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.892 -0.505 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.3 -24.82 8.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.759 -1.213 . . . . 0.0 109.905 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -78.08 -26.3 48.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.299 -0.876 . . . . 0.0 108.793 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -69.84 -34.04 73.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.707 -1.246 . . . . 0.0 108.684 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.92 -41.43 67.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.481 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.56 -52.79 10.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 109.798 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.4 -38.94 66.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -70.35 -27.54 64.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.214 -0.929 . . . . 0.0 109.544 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -78.77 -29.3 44.99 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.959 -1.088 . . . . 0.0 109.559 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.83 -2.86 52.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.236 -0.915 . . . . 0.0 109.585 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.99 114.33 7.35 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.112 -0.993 . . . . 0.0 108.827 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.74 146.97 96.3 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 CA-C-N 119.769 0.953 . . . . 0.0 109.626 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.907 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -74.0 -23.57 59.46 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.23 -0.919 . . . . 0.0 109.189 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.66 -40.82 72.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.92 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.4 m -69.94 -27.81 65.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.809 . . . . 0.0 109.42 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -70.95 -52.03 22.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.92 . . . . 0.0 110.056 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.91 -33.31 70.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.93 -1.106 . . . . 0.0 109.549 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.05 84.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.97 . . . . 0.0 109.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.79 -33.25 75.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 109.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -72.73 -53.08 12.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.038 -1.039 . . . . 0.0 109.864 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.28 -27.3 67.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.88 -1.137 . . . . 0.0 108.739 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -81.93 -35.16 29.41 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.188 -0.945 . . . . 0.0 109.48 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.88 -2.43 15.03 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.015 -1.053 . . . . 0.0 110.42 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.38 161.62 20.3 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.743 -1.223 . . . . 0.0 108.352 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.26 155.45 35.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.282 -0.887 . . . . 0.0 109.915 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.79 -47.36 83.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 109.864 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.41 -32.27 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 108.892 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -72.56 -29.08 63.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.012 -1.055 . . . . 0.0 108.547 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.42 -46.0 91.96 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.16 -32.71 74.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.431 -0.793 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.74 -28.02 62.38 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.999 -1.063 . . . . 0.0 109.557 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.89 -41.38 78.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.98 -1.075 . . . . 0.0 109.785 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.3 -47.4 50.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.108 -0.995 . . . . 0.0 109.932 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.3 ttt -58.61 -39.34 80.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.707 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.168 -0.958 . . . . 0.0 109.525 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.12 -48.45 43.63 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.229 -0.919 . . . . 0.0 109.465 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.86 -31.75 72.88 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.219 -0.926 . . . . 0.0 109.584 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.78 22.47 3.09 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 0.0 109.737 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.0 t80 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.13 -0.981 . . . . 0.0 108.878 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo . . . . . 0 CA--C 1.539 0.73 0 N-CA-C 109.135 -1.14 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.5 mp -73.25 119.4 75.55 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.92 133.57 58.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 CA-C-N 119.93 1.011 . . . . 0.0 109.611 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -64.85 -46.15 83.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.71 -31.85 46.29 Favored Glycine 0 N--CA 1.505 3.269 0 C-N-CA 119.82 -1.181 . . . . 0.0 110.206 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' N ' ' OE1' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -75.17 -51.72 12.69 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.866 -1.373 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.6 m -63.8 -54.32 36.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.15 -0.969 . . . . 0.0 110.082 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.35 -39.88 76.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.049 -1.032 . . . . 0.0 109.636 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -76.71 -18.07 58.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.795 -1.191 . . . . 0.0 109.494 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.53 131.52 39.02 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.06 -1.025 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.458 ' OD2' ' CD2' ' A' ' 49' ' ' HIS . 38.9 t70 -80.03 179.67 7.49 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.336 -0.853 . . . . 0.0 109.1 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.672 ' H ' ' CD2' ' A' ' 49' ' ' HIS . 2.3 p80 -59.82 -46.62 88.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.082 -1.011 . . . . 0.0 109.193 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.62 -51.26 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.962 -1.086 . . . . 0.0 108.804 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.57 -37.08 72.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -54.1 -44.46 71.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.988 -1.07 . . . . 0.0 109.294 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.62 70.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.177 -0.952 . . . . 0.0 109.561 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -69.54 -37.29 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 110.38 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.3 mp -71.24 -35.21 71.36 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.779 -1.201 . . . . 0.0 108.865 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.6 mtp -71.39 -42.76 67.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.202 -0.936 . . . . 0.0 109.737 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.1 mt -77.72 -37.16 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 120.78 -1.2 . . . . 0.0 110.01 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.14 -47.74 19.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.881 -1.137 . . . . 0.0 111.834 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -84.15 -42.61 15.83 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.77 -1.206 . . . . 0.0 112.844 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -94.87 -27.23 15.83 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.563 -1.336 . . . . 0.0 110.603 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.69 164.75 29.26 Favored Glycine 0 N--CA 1.505 3.24 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' OE1' ' NE1' ' A' ' 66' ' ' TRP . 7.4 tp10 -71.13 -33.76 70.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -1.101 . . . . 0.0 110.07 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.21 -52.88 16.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.123 -0.985 . . . . 0.0 110.301 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -71.66 -39.2 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.996 -1.065 . . . . 0.0 110.485 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.24 75.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.797 -1.19 . . . . 0.0 109.856 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.457 ' NE1' ' OE1' ' A' ' 62' ' ' GLU . 30.3 m0 -61.4 -40.3 93.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.149 -0.969 . . . . 0.0 109.084 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.05 75.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.633 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mmm -76.28 -32.5 58.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.214 -0.929 . . . . 0.0 109.171 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.95 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.298 -0.876 . . . . 0.0 110.345 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 71' ' ' TRP . 15.0 p -75.69 -40.24 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.06 -1.025 . . . . 0.0 110.494 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' VAL . 79.8 t90 -65.71 -30.06 70.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.047 -1.033 . . . . 0.0 110.218 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.95 -40.41 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 120.618 -1.301 . . . . 0.0 109.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -56.86 -47.03 81.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.397 -1.44 . . . . 0.0 109.709 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.34 -27.99 66.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.957 -1.089 . . . . 0.0 109.679 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.66 -46.79 68.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 110.281 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.4 pt -83.84 20.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.052 -1.03 . . . . 0.0 109.623 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.643 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER 54.95 74.48 0.36 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.462 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.61 38.13 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -47.06 -36.4 8.06 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.734 -0.604 . . . . 0.0 110.999 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -58.69 -33.37 70.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.824 -1.172 . . . . 0.0 109.269 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.9 -26.03 64.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.828 . . . . 0.0 109.846 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.2 t80 -72.88 -35.49 67.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 108.847 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -64.27 -44.97 90.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.091 -1.006 . . . . 0.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -75.0 -43.29 54.73 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.121 -0.987 . . . . 0.0 109.923 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.85 72.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.153 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.4 -27.35 67.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.039 -1.038 . . . . 0.0 110.076 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -86.31 -28.21 23.85 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.794 -1.191 . . . . 0.0 110.61 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.93 -10.43 33.8 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.962 -1.086 . . . . 0.0 110.333 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.456 ' OE2' ' CE3' ' A' ' 66' ' ' TRP . 3.0 mm-40 -72.47 118.07 64.44 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.83 -1.169 . . . . 0.0 108.207 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 CA--C 1.538 0.71 0 N-CA-C 109.487 -1.005 . . . . 0.0 109.487 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -83.09 -28.02 29.81 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 109.45 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.266 -0.896 . . . . 0.0 109.668 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 7' ' ' LYS . 30.1 p -63.21 -38.36 90.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.397 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 57.6 mttp -60.62 -50.14 74.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 109.826 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.17 -33.13 51.21 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.95 -1.094 . . . . 0.0 109.829 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.62 84.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 109.592 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -59.1 -34.04 71.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.152 -0.968 . . . . 0.0 109.931 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 47.6 m-85 -71.87 -51.74 20.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.782 -1.199 . . . . 0.0 110.049 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.0 -26.49 65.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.008 -1.058 . . . . 0.0 109.188 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.69 -31.36 32.21 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.236 -0.915 . . . . 0.0 109.958 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.06 -2.68 4.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.014 -1.053 . . . . 0.0 109.821 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -93.3 160.96 14.59 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.988 -1.07 . . . . 0.0 109.103 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 11.4 mp0 -65.54 156.12 33.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.874 . . . . 0.0 109.436 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -57.74 -47.62 81.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.877 . . . . 0.0 109.712 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.07 -38.18 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.28 -29.4 69.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.064 -1.023 . . . . 0.0 108.515 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.07 -33.32 75.53 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' A' ' 25' ' ' MET . 55.7 tttm -70.96 -35.37 72.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.12 -28.38 61.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 72' ' ' ILE . 25.8 t80 -70.11 -42.14 73.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.911 -1.118 . . . . 0.0 109.696 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -68.29 -41.82 80.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.041 -1.037 . . . . 0.0 109.771 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.454 ' SD ' ' NZ ' ' A' ' 21' ' ' LYS . 15.1 mtt -64.6 -33.79 76.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.195 -0.94 . . . . 0.0 108.591 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.34 -38.59 84.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.218 -0.926 . . . . 0.0 109.317 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.93 -37.62 84.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 0.0 109.365 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -71.66 -30.8 66.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 109.824 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.25 32.21 0.28 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.14 -0.975 . . . . 0.0 109.887 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 CA--C 1.539 0.754 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.2 mm? -71.72 119.26 73.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.07 133.58 58.76 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 CA-C-N 119.977 1.027 . . . . 0.0 109.627 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.66 -42.84 95.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.333 -0.855 . . . . 0.0 109.519 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.08 -35.88 91.46 Favored Glycine 0 N--CA 1.503 3.123 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -75.62 -39.03 58.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.924 -1.339 . . . . 0.0 109.981 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -70.69 -46.37 63.28 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.478 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 2.1 pp20? -65.91 -40.36 91.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.866 -1.146 . . . . 0.0 109.508 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.7 tttp -72.04 -16.62 62.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.897 -1.127 . . . . 0.0 109.542 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.47 137.16 55.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 0.0 109.62 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 36.8 t70 -80.59 179.32 7.81 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.348 -0.845 . . . . 0.0 109.791 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.441 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.1 m80 -63.47 -49.11 74.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.915 . . . . 0.0 109.964 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.2 -35.13 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.979 -1.075 . . . . 0.0 108.753 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.58 -39.45 73.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.226 -0.922 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.48 -47.52 76.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.827 -1.171 . . . . 0.0 109.237 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.81 69.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.035 -1.041 . . . . 0.0 109.5 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.2 m -72.15 -32.59 67.04 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 109.916 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.39 70.36 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.917 -1.114 . . . . 0.0 108.684 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.4 mtp -67.92 -40.39 83.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 109.357 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.72 -34.87 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.831 -1.168 . . . . 0.0 109.925 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.24 -52.11 9.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.78 -1.2 . . . . 0.0 111.927 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -81.79 -42.4 19.77 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.737 -1.227 . . . . 0.0 112.768 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -93.23 -27.89 16.59 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.365 -1.459 . . . . 0.0 110.566 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.27 167.35 32.78 Favored Glycine 0 N--CA 1.503 3.152 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.86 -31.09 67.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.382 -1.07 . . . . 0.0 110.366 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -71.14 -52.83 17.04 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.113 -0.992 . . . . 0.0 110.506 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -73.5 -38.32 65.41 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.831 -1.168 . . . . 0.0 110.173 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.19 -51.72 61.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.202 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -61.51 -44.08 97.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.071 -1.018 . . . . 0.0 108.929 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.95 74.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.675 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtp -76.2 -32.57 59.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.26 76.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 71' ' ' TRP . 19.5 m -75.87 -41.78 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.064 -1.023 . . . . 0.0 110.407 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.469 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.5 t90 -65.75 -29.65 70.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.0 110.378 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.429 HG21 ' CE2' ' A' ' 23' ' ' PHE . 36.8 mt -72.46 -42.21 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 120.681 -1.262 . . . . 0.0 109.664 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.35 -46.83 79.81 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.388 -1.445 . . . . 0.0 109.54 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.82 67.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.871 -1.143 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.11 57.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.191 -0.943 . . . . 0.0 110.6 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.497 HD12 ' HE ' ' A' ' 78' ' ' ARG . 20.5 pt -83.64 19.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.876 -1.14 . . . . 0.0 109.584 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.99 71.46 0.51 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.665 -0.647 . . . . 0.0 110.496 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' HE ' HD12 ' A' ' 76' ' ' ILE . 16.7 mtt-85 -153.56 38.23 0.48 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.15 -28.99 43.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 110.153 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -56.41 -30.16 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.859 -1.15 . . . . 0.0 109.356 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -26.05 63.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.873 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.05 -37.68 66.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.684 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -44.67 95.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.12 -0.988 . . . . 0.0 109.188 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -74.92 -45.54 41.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 109.71 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.78 -30.24 43.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.235 -0.916 . . . . 0.0 109.529 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -70.39 -27.3 64.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 109.141 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 87' ' ' ARG . 3.9 ttt-85 -75.89 -27.73 57.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.913 -1.117 . . . . 0.0 109.635 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.408 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 20.8 t70 -91.64 -2.74 56.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.58 114.04 6.65 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.903 . . . . 0.0 109.145 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 -179.79 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -42.73 57.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.203 -0.935 . . . . 0.0 108.555 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -54.75 -34.68 62.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.601 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.07 -24.66 51.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.484 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.95 -48.96 26.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.346 -0.846 . . . . 0.0 110.306 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 8' ' ' LEU . 11.2 mp -71.05 -33.39 70.23 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.937 -1.102 . . . . 0.0 109.463 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.84 79.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.98 -1.075 . . . . 0.0 109.3 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -68.72 -33.41 73.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.307 -0.871 . . . . 0.0 109.109 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.45 -55.3 16.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.546 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.68 -25.24 64.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.994 -1.066 . . . . 0.0 109.21 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -81.99 -32.32 30.69 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.232 -0.917 . . . . 0.0 110.804 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 37.7 p30 -66.95 -19.31 65.7 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.812 -1.18 . . . . 0.0 110.793 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 73.9 mt -73.9 164.35 26.75 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.929 -1.107 . . . . 0.0 109.42 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.3 mp0 -65.47 154.67 37.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.094 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -54.92 -45.58 74.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.37 -0.831 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.66 -32.58 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 15.5 t70 -69.69 -31.69 69.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.87 -30.64 71.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.844 -1.16 . . . . 0.0 107.878 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -73.65 -48.86 29.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.504 -0.748 . . . . 0.0 110.758 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -75.65 -33.84 60.46 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.791 -1.193 . . . . 0.0 110.692 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -68.84 -41.36 78.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.73 -1.231 . . . . 0.0 109.795 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -72.21 -41.4 66.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.059 -1.025 . . . . 0.0 109.517 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 29' ' ' ASP . 1.3 tmt? -67.69 -34.11 76.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 109.606 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.64 74.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.125 -0.985 . . . . 0.0 109.561 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.15 -44.55 75.77 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.094 -1.003 . . . . 0.0 108.652 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -65.78 -32.86 74.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' SD ' ' A' ' 25' ' ' MET . 2.4 m-20 -91.71 19.92 6.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.155 -0.965 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 N--CA 1.493 1.682 0 O-C-N 120.983 -1.073 . . . . 0.0 108.705 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 CA--C 1.539 0.748 0 N-CA-C 109.775 -0.894 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.8 mp -71.73 120.26 78.99 Favored Pre-proline 0 N--CA 1.492 1.66 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.67 133.88 51.58 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 CA-C-N 119.907 1.003 . . . . 0.0 110.066 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.58 -49.21 72.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.423 -0.798 . . . . 0.0 110.052 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.54 -37.56 56.44 Favored Glycine 0 N--CA 1.506 3.306 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.349 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -75.19 -36.14 61.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.809 -1.407 . . . . 0.0 109.885 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -69.68 -47.05 64.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.057 -1.027 . . . . 0.0 110.052 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.22 -40.03 88.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.972 -1.08 . . . . 0.0 109.416 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -75.05 -14.75 60.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.868 -1.145 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.12 132.82 43.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.27 168.88 18.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.303 -0.873 . . . . 0.0 108.907 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -53.96 -49.32 69.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.53 -46.1 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.023 -1.048 . . . . 0.0 108.743 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.2 -36.08 78.92 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.208 -0.933 . . . . 0.0 109.7 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.18 -49.02 70.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.834 -1.166 . . . . 0.0 108.881 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.71 68.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.66 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.9 m -70.19 -35.25 73.82 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.027 -1.046 . . . . 0.0 110.314 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.81 -34.9 72.22 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.745 -1.222 . . . . 0.0 108.375 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.6 mtp -69.21 -43.22 74.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.252 -0.905 . . . . 0.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.11 -39.1 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 120.862 -1.149 . . . . 0.0 110.241 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.17 -42.69 36.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.74 -1.225 . . . . 0.0 111.615 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -80.98 -42.24 21.53 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.897 -1.127 . . . . 0.0 112.397 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 20.6 m120 -99.23 -27.08 13.96 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.748 -1.22 . . . . 0.0 110.864 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.52 164.77 29.46 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.68 -31.03 67.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.253 -1.145 . . . . 0.0 110.033 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 10.5 mp0 -69.88 -52.53 24.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.482 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 60' ' ' ASN . 32.0 mtmm -73.39 -41.19 63.65 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.967 -1.083 . . . . 0.0 110.035 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.06 68.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.775 -1.203 . . . . 0.0 109.688 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.469 ' CZ3' ' OE2' ' A' ' 89' ' ' GLU . 45.3 m0 -58.92 -43.01 91.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.15 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.59 82.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.126 -0.984 . . . . 0.0 109.773 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.3 mtp -76.02 -32.6 59.46 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.277 -0.89 . . . . 0.0 109.328 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -62.85 -37.84 88.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.86 -54.17 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.192 -0.943 . . . . 0.0 110.264 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -55.0 -29.97 58.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.814 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.3 mt -72.75 -41.01 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 120.573 -1.33 . . . . 0.0 109.815 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -57.04 -46.99 81.99 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.279 -1.513 . . . . 0.0 109.824 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -27.89 68.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.883 -1.136 . . . . 0.0 109.64 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -47.05 75.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 110.242 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 18.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.991 -1.068 . . . . 0.0 108.856 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 56.21 70.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 109.822 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 94.9 mtt180 -149.41 39.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.5 -28.79 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.59 -0.694 . . . . 0.0 110.405 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.74 -27.07 26.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.976 -1.077 . . . . 0.0 109.608 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.4 -26.6 61.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.38 -0.825 . . . . 0.0 109.021 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -72.55 -34.18 67.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.762 -1.211 . . . . 0.0 108.597 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -65.47 -44.37 87.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.182 -0.949 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -74.98 -42.59 57.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.0 109.625 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.79 53.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.375 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -69.74 -27.48 64.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.478 -0.764 . . . . 0.0 109.004 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -80.61 -29.64 36.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.99 -1.069 . . . . 0.0 109.913 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -98.0 -5.25 34.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' OE2' ' CZ3' ' A' ' 66' ' ' TRP . 20.2 tp10 -56.14 113.64 6.18 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.538 0.705 0 N-CA-C 109.439 -1.024 . . . . 0.0 109.439 -179.704 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 m -61.45 -19.57 62.13 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 109.174 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -63.4 -38.8 92.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.943 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.4 m -74.35 -42.58 59.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -67.44 -52.06 44.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.064 -1.022 . . . . 0.0 109.611 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.75 -33.04 63.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.039 -1.038 . . . . 0.0 109.697 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.03 70.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.517 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 10' ' ' ARG . 15.8 mtt-85 -72.54 -33.05 66.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 34.1 m-85 -68.97 -53.29 21.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.148 -0.97 . . . . 0.0 109.343 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.59 -30.23 69.7 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' A' ' 15' ' ' LEU . 53.4 mt-10 -82.04 -24.17 35.47 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.56 -0.79 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.193 -0.942 . . . . 0.0 109.509 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 13' ' ' GLU . 53.8 mt -88.18 160.03 17.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.029 -1.044 . . . . 0.0 109.246 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.57 150.62 48.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 0.0 108.994 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -52.49 -47.59 66.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.146 -0.971 . . . . 0.0 110.007 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.093 -1.004 . . . . 0.0 109.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.15 -29.49 70.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.146 -0.972 . . . . 0.0 108.942 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.62 -36.49 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 0.0 109.529 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -58.29 -41.77 85.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.237 -0.915 . . . . 0.0 109.329 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE2' HG21 ' A' ' 72' ' ' ILE . 26.3 t80 -57.12 -35.62 69.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.417 -0.802 . . . . 0.0 109.436 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HZ1' ' HB3' ' A' ' 45' ' ' GLU . 63.2 tttp -68.4 -39.77 81.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.334 -0.854 . . . . 0.0 110.042 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 40.1 mtm -72.02 -39.21 69.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.222 -0.924 . . . . 0.0 109.43 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.11 69.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.061 -1.024 . . . . 0.0 110.008 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.38 -49.28 56.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.881 -1.137 . . . . 0.0 109.565 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 30' ' ' TYR . 53.6 mt-10 -72.39 -30.2 64.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.204 -0.935 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.27 29.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.15 -0.968 . . . . 0.0 109.933 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.429 ' H ' ' C ' ' A' ' 28' ' ' GLU . 37.6 t80 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 108.441 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.5 mm? -71.45 119.17 72.32 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -58.75 134.87 63.35 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 119.889 0.996 . . . . 0.0 109.815 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -64.63 -31.57 72.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.382 -0.824 . . . . 0.0 109.632 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.06 96.4 Favored Glycine 0 N--CA 1.505 3.274 0 C-N-CA 119.655 -1.259 . . . . 0.0 110.017 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -75.79 -31.59 59.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.713 -1.463 . . . . 0.0 109.433 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -75.12 -41.28 58.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HB3' ' HZ1' ' A' ' 24' ' ' LYS . 2.0 pp20? -73.6 -41.66 62.56 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.921 -1.112 . . . . 0.0 109.765 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.9 tttp -70.93 -16.4 62.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.939 -1.101 . . . . 0.0 109.569 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 130.76 44.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.2 167.73 19.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.551 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.0 p-80 -50.35 -44.55 54.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.986 -1.071 . . . . 0.0 110.325 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.25 -50.0 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.067 -1.021 . . . . 0.0 109.086 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -60.0 -35.15 74.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.198 -0.939 . . . . 0.0 109.606 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -52.0 64.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.174 -0.954 . . . . 0.0 109.206 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.69 69.85 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.11 -0.994 . . . . 0.0 109.867 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -73.19 -38.17 66.24 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.074 -1.016 . . . . 0.0 110.236 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.97 -35.72 69.62 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.813 -1.179 . . . . 0.0 109.369 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.4 ttt -71.71 -43.82 65.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.777 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -77.18 -37.11 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.873 -1.142 . . . . 0.0 110.024 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -76.8 -46.65 24.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.964 -1.085 . . . . 0.0 111.285 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -79.26 -41.48 28.07 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.822 -1.174 . . . . 0.0 112.164 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -92.93 -27.35 17.13 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 120.57 -1.331 . . . . 0.0 110.264 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.48 166.68 35.14 Favored Glycine 0 N--CA 1.501 2.994 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 4.5 tm-20 -70.81 -31.52 68.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -1.056 . . . . 0.0 110.104 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.38 -53.46 14.03 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.976 -1.078 . . . . 0.0 110.459 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.1 -39.42 65.82 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.968 -1.083 . . . . 0.0 110.294 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.01 68.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.908 -1.12 . . . . 0.0 109.666 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 11.1 m0 -66.16 -50.38 64.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 109.022 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.7 69.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.051 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.5 mmm -76.08 -33.52 59.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -70.74 -39.73 73.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -0.988 . . . . 0.0 110.25 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.0 -52.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.083 -1.011 . . . . 0.0 110.381 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -57.38 -32.46 66.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 110.33 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.405 HG21 ' CE2' ' A' ' 23' ' ' PHE . 42.0 mt -72.8 -34.85 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 120.563 -1.336 . . . . 0.0 109.241 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.3 m-30 -57.09 -47.32 81.33 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.649 -1.282 . . . . 0.0 109.53 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.03 69.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.928 -1.107 . . . . 0.0 109.779 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -46.89 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 110.156 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -84.49 19.51 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.988 -1.07 . . . . 0.0 109.505 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 54.1 86.45 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 109.782 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.57 30.18 0.32 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -47.39 -29.11 2.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.679 -0.638 . . . . 0.0 110.841 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.93 -51.39 59.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.993 -1.067 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.3 tp -57.74 -25.64 60.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 109.797 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.31 -39.81 74.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.829 -1.169 . . . . 0.0 108.684 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.2 -40.13 80.78 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.196 -0.94 . . . . 0.0 109.184 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -74.46 -43.1 57.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.353 -0.842 . . . . 0.0 109.289 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -34.26 68.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.283 -0.886 . . . . 0.0 109.722 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.64 -27.51 65.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.283 -0.886 . . . . 0.0 109.735 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -78.83 -28.33 44.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.964 -1.085 . . . . 0.0 109.96 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 22.8 t70 -90.41 -5.5 56.05 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.035 -1.041 . . . . 0.0 109.698 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.9 pt-20 -56.35 120.33 34.72 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.04 -1.038 . . . . 0.0 109.15 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 CA--C 1.539 0.747 0 N-CA-C 109.314 -1.071 . . . . 0.0 109.314 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -65.24 -15.67 62.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 109.083 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -58.4 -47.75 82.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 0.0 109.519 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.5 -29.65 67.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.59 -48.46 48.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.157 -0.964 . . . . 0.0 110.206 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.07 -34.1 76.86 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.33 -27.81 63.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 108.839 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -66.56 -33.16 75.06 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.505 -0.747 . . . . 0.0 109.515 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -75.16 -53.41 8.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.208 -0.933 . . . . 0.0 109.65 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 20' ' ' LEU . 19.4 mt -59.98 -26.25 65.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 108.853 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -81.9 -31.8 31.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.147 -0.971 . . . . 0.0 109.691 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.16 -1.12 38.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.921 -1.112 . . . . 0.0 110.736 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.18 156.6 19.61 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 108.618 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.33 150.23 48.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.849 . . . . 0.0 109.737 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.72 -47.73 81.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.0 110.352 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 19' ' ' ASP . 12.7 p -65.95 -41.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.933 -1.104 . . . . 0.0 109.584 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 18' ' ' VAL . 64.4 m-20 -70.44 -29.23 65.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.021 . . . . 0.0 108.603 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 12' ' ' LEU . 45.3 tp -65.1 -42.28 94.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.83 -45.69 91.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.429 -0.795 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -56.22 -32.81 64.77 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.1 -1.0 . . . . 0.0 109.642 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 72' ' ' ILE . 36.2 t80 -65.09 -42.04 94.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.14 -0.975 . . . . 0.0 109.815 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -67.02 -48.76 67.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.908 -1.12 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt -59.9 -33.81 72.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.367 -0.833 . . . . 0.0 109.098 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -69.28 -30.85 69.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.442 -0.786 . . . . 0.0 109.742 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.74 -43.06 97.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.995 -1.066 . . . . 0.0 109.318 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 30' ' ' TYR . 2.2 mp0 -73.62 -29.55 62.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.056 -1.028 . . . . 0.0 109.01 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.25 3.15 0.96 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 109.792 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 28' ' ' GLU . 33.5 t80 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 CA--C 1.538 0.708 0 N-CA-C 109.668 -0.935 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.6 mp -83.66 119.65 74.03 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.11 140.09 86.36 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 120.001 1.036 . . . . 0.0 109.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.01 -32.92 74.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.293 -0.879 . . . . 0.0 109.178 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.45 -24.74 67.96 Favored Glycine 0 N--CA 1.502 3.058 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -74.44 -35.95 63.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.029 -1.277 . . . . 0.0 110.599 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 p -72.2 -55.76 6.69 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.864 -1.147 . . . . 0.0 110.561 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.59 -38.02 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 110.029 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.55 -17.06 62.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.77 -1.206 . . . . 0.0 108.787 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.08 139.06 31.47 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.542 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.35 170.36 16.5 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.285 -0.885 . . . . 0.0 108.904 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -57.46 -47.23 82.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.992 -1.067 . . . . 0.0 109.555 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.94 -49.04 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.053 -1.029 . . . . 0.0 108.597 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -34.69 72.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.286 -0.884 . . . . 0.0 109.501 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.1 -51.18 67.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.952 . . . . 0.0 109.442 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.97 69.43 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.163 -0.961 . . . . 0.0 109.625 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.9 m -73.24 -35.36 66.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.079 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.2 -34.91 68.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.883 -1.136 . . . . 0.0 109.165 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.43 -39.83 70.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.013 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.53 -41.5 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.767 -1.208 . . . . 0.0 110.079 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -77.2 -48.0 18.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.931 -1.106 . . . . 0.0 111.323 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -76.89 -41.81 42.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.997 -1.065 . . . . 0.0 112.112 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' SD ' ' A' ' 68' ' ' MET . 0.4 OUTLIER -93.11 -27.16 17.1 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.686 -1.259 . . . . 0.0 110.122 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.42 159.76 28.05 Favored Glycine 0 N--CA 1.504 3.191 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -70.66 -31.25 68.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -1.06 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -71.23 -52.91 16.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.077 -1.014 . . . . 0.0 110.419 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.68 -40.71 63.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.063 -1.023 . . . . 0.0 110.163 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.7 23.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.904 -1.122 . . . . 0.0 110.315 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.054 -1.029 . . . . 0.0 109.101 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.52 70.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.817 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.422 ' SD ' ' OD1' ' A' ' 60' ' ' ASN . 7.5 mtt -75.97 -32.63 59.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.146 -0.971 . . . . 0.0 109.197 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.98 -44.65 79.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 109.898 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 71' ' ' TRP . 28.5 m -75.7 -39.23 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.14 -0.975 . . . . 0.0 110.088 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.43 ' N ' HG23 ' A' ' 70' ' ' VAL . 75.3 t90 -67.3 -33.96 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.076 -1.015 . . . . 0.0 110.007 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.418 HG21 ' CE2' ' A' ' 23' ' ' PHE . 49.1 mt -72.83 -34.15 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 120.652 -1.28 . . . . 0.0 108.628 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.803 -1.185 . . . . 0.0 109.543 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.41 69.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 109.834 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -61.97 -43.15 99.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.115 -0.991 . . . . 0.0 109.673 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.439 ' C ' ' H ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -72.95 14.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.087 -1.008 . . . . 0.0 108.887 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.62 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER 55.72 5.37 0.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 110.173 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 78' ' ' ARG . 14.4 mtt-85 -81.11 55.19 2.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.051 -1.031 . . . . 0.0 108.567 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -54.96 -29.42 56.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.39 -0.819 . . . . 0.0 110.187 -179.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -59.23 -42.85 92.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.765 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.47 -26.11 68.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.405 ' CD2' ' NH2' ' A' ' 79' ' ' ARG . 84.0 t80 -71.58 -33.87 69.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.771 -1.206 . . . . 0.0 109.004 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.29 -41.98 99.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.175 -0.953 . . . . 0.0 108.734 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.61 -49.89 19.91 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.475 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.53 -31.54 62.18 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.839 . . . . 0.0 109.748 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -66.34 -27.69 68.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 109.659 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.42 -28.45 52.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.96 -1.087 . . . . 0.0 109.805 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.39 -4.63 58.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.006 -1.058 . . . . 0.0 109.733 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.7 pt-20 -56.37 122.39 49.25 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.1 -1.0 . . . . 0.0 109.018 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.539 0.756 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -35.16 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.209 -0.932 . . . . 0.0 108.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -52.76 -47.57 67.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.269 -0.894 . . . . 0.0 109.817 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.4 -32.13 69.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.268 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -65.47 -47.02 77.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.378 -0.827 . . . . 0.0 109.762 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.81 -33.38 74.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.058 -1.026 . . . . 0.0 109.015 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.86 77.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.965 -1.085 . . . . 0.0 109.469 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -68.93 -33.67 74.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.411 -0.806 . . . . 0.0 109.798 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.66 -55.15 5.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.954 -1.091 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.0 -26.65 62.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.105 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.45 -25.64 35.94 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.141 -0.974 . . . . 0.0 108.845 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.23 -1.71 2.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.729 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -96.26 156.05 16.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.172 -0.955 . . . . 0.0 109.337 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -65.54 150.67 48.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.442 -0.786 . . . . 0.0 109.195 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.51 -47.3 66.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.0 110.113 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.75 -39.44 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.132 -0.98 . . . . 0.0 109.583 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.29 -29.34 69.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.026 -1.046 . . . . 0.0 108.99 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.19 -38.81 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 108.781 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 6.4 ttpm? -68.75 -38.85 80.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.022 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 50.2 mttp -67.68 -27.84 67.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.113 -0.992 . . . . 0.0 109.184 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.432 ' CE2' HG21 ' A' ' 72' ' ' ILE . 41.5 t80 -67.1 -42.32 84.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 109.377 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -69.44 -43.44 73.31 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.421 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.5 -34.17 68.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 0.0 109.581 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -65.91 -37.6 86.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.184 -0.947 . . . . 0.0 109.103 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.05 -32.12 73.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.123 -0.985 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.38 -14.16 60.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.653 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.1 52.76 1.97 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.508 -0.745 . . . . 0.0 109.34 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 t80 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.644 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo . . . . . 0 CA--C 1.541 0.833 0 N-CA-C 109.6 -0.961 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.74 122.35 60.81 Favored Pre-proline 0 N--CA 1.499 1.992 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.08 133.45 41.08 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 120.03 1.046 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -65.13 -44.66 87.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.14 -34.67 74.13 Favored Glycine 0 N--CA 1.505 3.247 0 C-N-CA 119.8 -1.19 . . . . 0.0 110.562 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.81 -41.19 60.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.75 -1.441 . . . . 0.0 110.059 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.4 m -66.75 -45.59 78.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.866 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.52 -38.55 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.01 -1.056 . . . . 0.0 109.534 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.82 -17.41 62.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.837 -1.164 . . . . 0.0 109.065 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.13 127.83 34.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 0.0 109.581 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -79.96 168.24 19.46 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.184 -0.948 . . . . 0.0 108.448 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.557 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.2 p-80 -48.47 -40.95 28.18 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.915 -1.116 . . . . 0.0 110.596 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.0 -47.79 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.127 -0.983 . . . . 0.0 109.284 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.66 -35.07 79.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 0.0 109.805 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.48 -51.65 67.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.117 -0.989 . . . . 0.0 109.023 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.74 67.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 109.909 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.2 m -72.74 -36.33 67.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.123 -0.986 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -70.99 -34.66 71.58 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.9 -1.125 . . . . 0.0 108.84 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mmm -66.85 -40.1 87.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 109.293 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.29 -40.49 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.97 -1.081 . . . . 0.0 110.462 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.91 -46.6 23.81 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.725 -1.234 . . . . 0.0 111.555 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -72.7 -42.29 64.36 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.955 -1.091 . . . . 0.0 112.548 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -99.44 -27.68 13.62 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 120.76 -1.213 . . . . 0.0 110.787 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.45 165.65 24.56 Favored Glycine 0 N--CA 1.505 3.269 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.65 -34.18 71.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -1.137 . . . . 0.0 109.969 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.93 -52.43 20.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.314 -0.866 . . . . 0.0 110.975 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.48 -37.96 74.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.911 -1.118 . . . . 0.0 109.972 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -52.22 60.23 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.929 -1.107 . . . . 0.0 110.218 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -59.25 -47.41 85.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 108.954 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.85 -37.92 66.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.6 mtp -77.14 -32.5 56.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.9 70.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.9 . . . . 0.0 110.679 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 71' ' ' TRP . 32.1 m -75.85 -41.13 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.948 -1.095 . . . . 0.0 110.721 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' N ' HG23 ' A' ' 70' ' ' VAL . 82.4 t90 -66.79 -30.04 70.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.057 -1.027 . . . . 0.0 110.307 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.432 HG21 ' CE2' ' A' ' 23' ' ' PHE . 41.0 mt -72.86 -41.9 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.655 -1.278 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -56.99 -46.96 81.89 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.322 -1.486 . . . . 0.0 109.749 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -28.02 68.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.938 -1.102 . . . . 0.0 109.809 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -65.35 -46.8 78.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.124 -0.985 . . . . 0.0 110.269 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.14 19.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.127 -0.983 . . . . 0.0 108.537 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.441 ' H ' ' C ' ' A' ' 75' ' ' ALA . 37.2 m-80 58.83 16.92 4.83 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.64 -0.662 . . . . 0.0 110.109 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -79.53 52.75 1.44 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.121 -0.987 . . . . 0.0 108.571 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -53.09 -36.97 61.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.761 . . . . 0.0 110.977 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.84 -48.64 70.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.839 -1.163 . . . . 0.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.73 -26.55 61.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 108.845 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.99 -35.17 62.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.476 -1.39 . . . . 0.0 109.525 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -60.71 -44.89 96.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.966 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.29 -34.28 61.29 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.984 -1.072 . . . . 0.0 110.145 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.86 70.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 110.179 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -28.44 64.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.047 . . . . 0.0 109.413 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.31 -24.82 62.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.087 -1.008 . . . . 0.0 109.95 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -96.15 -3.25 44.81 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.243 -0.911 . . . . 0.0 110.147 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.78 117.08 31.8 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.093 -1.005 . . . . 0.0 108.358 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 CA--C 1.539 0.746 0 N-CA-C 109.404 -1.037 . . . . 0.0 109.404 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.2 m -66.05 -19.56 65.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.321 -0.862 . . . . 0.0 109.195 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -57.13 -49.77 74.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.93 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.0 m -68.64 -28.34 66.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.159 -0.963 . . . . 0.0 109.412 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HZ2' ' HE2' ' A' ' 11' ' ' TYR . 19.8 tptp -69.02 -45.53 70.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.19 -46.07 90.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.137 -0.977 . . . . 0.0 108.437 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.07 82.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.009 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -55.76 -33.21 64.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.387 -0.821 . . . . 0.0 109.785 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.557 ' HE2' ' HZ2' ' A' ' 7' ' ' LYS . 17.9 m-85 -77.57 -56.34 4.61 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.104 -0.998 . . . . 0.0 109.919 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 -26.16 64.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.945 -1.097 . . . . 0.0 108.919 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.5 -25.73 38.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -80.89 -4.49 55.03 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.189 -0.945 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD22 HH22 ' A' ' 78' ' ' ARG . 25.8 mt -93.16 169.41 10.42 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 120.826 -1.171 . . . . 0.0 109.639 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.45 149.99 49.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.594 -0.691 . . . . 0.0 109.617 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.27 -40.52 74.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.897 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.97 -32.39 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.12 -0.987 . . . . 0.0 109.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.8 -29.34 66.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.928 -1.108 . . . . 0.0 108.218 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.94 -45.73 91.12 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.56 -38.16 88.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.83 -0.543 . . . . 0.0 110.976 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.15 -28.0 64.99 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.826 -1.171 . . . . 0.0 110.122 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CE2' HG21 ' A' ' 72' ' ' ILE . 12.2 t80 -68.6 -40.7 80.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.912 -1.118 . . . . 0.0 109.592 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.65 -48.15 64.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.134 . . . . 0.0 108.752 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.425 ' SD ' ' OD2' ' A' ' 29' ' ' ASP . 12.5 tmm? -51.64 -33.92 35.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.58 -0.7 . . . . 0.0 109.759 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.31 -43.42 81.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.256 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.46 -31.26 62.19 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.052 -1.03 . . . . 0.0 109.052 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.8 -17.85 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' OD2' ' SD ' ' A' ' 25' ' ' MET . 30.2 p30 -143.74 52.0 1.33 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.309 -0.869 . . . . 0.0 109.462 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.738 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo . . . . . 0 CA--C 1.538 0.719 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.2 mm? -82.69 119.33 74.33 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.72 133.34 50.62 Favored 'Trans proline' 0 C--O 1.21 -0.913 0 CA-C-N 119.987 1.031 . . . . 0.0 109.601 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -65.54 -31.59 72.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.311 -0.868 . . . . 0.0 110.058 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.3 -40.32 22.26 Favored Glycine 0 N--CA 1.507 3.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.666 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' ALA . 17.0 pt20 -74.33 -39.72 62.66 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.473 -1.604 . . . . 0.0 110.25 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -55.8 -55.69 29.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.65 -39.08 90.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.066 -1.021 . . . . 0.0 109.6 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -77.42 -16.68 58.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.923 -1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -79.54 124.33 28.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.194 -0.941 . . . . 0.0 109.787 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -80.32 174.14 11.89 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.151 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -53.34 -45.25 69.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.881 -1.137 . . . . 0.0 109.99 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.16 -52.38 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.013 -1.054 . . . . 0.0 108.77 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.14 -34.3 68.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.693 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -55.58 -50.21 70.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.944 -1.097 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.96 70.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 109.6 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.6 m -70.57 -36.1 73.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.147 -0.97 . . . . 0.0 110.133 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.89 -34.86 69.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.942 -1.099 . . . . 0.0 109.059 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.63 -41.65 71.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.0 109.761 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.7 mt -77.74 -38.43 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 120.845 -1.159 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.08 -46.16 24.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.886 -1.134 . . . . 0.0 111.607 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -77.25 -42.28 37.83 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.92 -1.112 . . . . 0.0 112.116 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -94.66 -27.3 15.94 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 120.61 -1.306 . . . . 0.0 110.351 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.86 163.55 28.96 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.39 -33.7 71.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.212 -1.169 . . . . 0.0 109.892 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.73 -52.77 22.52 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.006 . . . . 0.0 110.494 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -72.27 -38.27 68.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.918 -1.114 . . . . 0.0 110.583 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -55.67 24.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.845 -1.159 . . . . 0.0 110.251 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -57.48 -38.87 75.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.078 -1.014 . . . . 0.0 108.973 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.37 88.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.203 -0.936 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.98 -32.56 59.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.253 -0.904 . . . . 0.0 109.114 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -58.55 -37.77 76.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.85 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.07 -54.82 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.254 -0.904 . . . . 0.0 110.224 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -54.41 -29.69 49.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.826 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.437 HG21 ' CE2' ' A' ' 23' ' ' PHE . 31.3 mt -72.47 -42.28 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.353 0 O-C-N 120.479 -1.388 . . . . 0.0 109.985 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -56.48 -46.76 80.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.388 -1.445 . . . . 0.0 109.779 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.84 68.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.99 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.952 . . . . 0.0 110.402 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.74 19.29 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 121.048 -1.033 . . . . 0.0 109.363 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 59.02 82.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 0.0 110.277 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.406 HH22 HD22 ' A' ' 15' ' ' LEU . 49.5 mtp180 -155.53 33.92 0.37 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 79' ' ' ARG . 4.6 ptt-85 -47.6 -29.01 2.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.17 -32.01 65.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.917 -1.114 . . . . 0.0 109.274 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.5 tp -69.62 -26.52 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.15 -34.1 68.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.71 -1.244 . . . . 0.0 108.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.91 -44.05 86.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -76.56 -36.43 57.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.916 -1.115 . . . . 0.0 110.109 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.73 80.35 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.214 -0.929 . . . . 0.0 111.044 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -28.57 70.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.744 -1.223 . . . . 0.0 109.432 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.98 -30.27 62.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.127 -0.983 . . . . 0.0 109.563 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -98.92 -5.24 31.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.353 -0.842 . . . . 0.0 109.689 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -56.96 115.14 9.5 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.207 -0.933 . . . . 0.0 109.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.0 m -83.92 -22.41 31.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.247 -0.908 . . . . 0.0 109.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -69.67 -42.53 74.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.242 -0.911 . . . . 0.0 109.673 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -71.64 -40.25 69.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 109.987 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.46 -49.33 27.37 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.15 -0.969 . . . . 0.0 110.141 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.48 -33.23 72.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.925 -1.109 . . . . 0.0 109.373 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.01 72.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.91 -33.08 74.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 109.44 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.0 -52.62 40.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 109.07 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -61.19 -30.56 70.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.262 -0.898 . . . . 0.0 108.733 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' LEU . 46.8 mt-10 -82.51 -28.29 31.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.323 -0.86 . . . . 0.0 109.274 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.31 0.98 0.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.011 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 13' ' ' GLU . 28.1 mt -87.51 162.66 17.1 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.831 -1.168 . . . . 0.0 109.605 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 21.4 mp0 -69.89 156.23 39.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.444 -0.785 . . . . 0.0 109.391 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.17 -42.24 80.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.797 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.77 -39.66 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.209 -0.932 . . . . 0.0 109.599 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -71.57 -29.11 64.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.55 -38.22 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.202 -0.936 . . . . 0.0 109.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -40.36 72.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 0.0 110.244 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 6.2 mptp? -64.37 -33.7 76.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.127 -0.983 . . . . 0.0 109.233 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -66.21 -39.43 89.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.992 -1.068 . . . . 0.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.85 -42.04 81.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.971 -1.081 . . . . 0.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.2 ttm -66.77 -35.96 81.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.14 -0.975 . . . . 0.0 109.869 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 26.0 m80 -69.34 -38.64 78.26 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.178 -0.951 . . . . 0.0 109.274 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 tp -74.18 -32.08 62.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.959 -1.088 . . . . 0.0 109.168 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.46 -35.01 75.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.266 -0.896 . . . . 0.0 110.108 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -100.57 51.44 0.88 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.39 -0.819 . . . . 0.0 109.677 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.057 -1.027 . . . . 0.0 108.865 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 CA--C 1.538 0.701 0 N-CA-C 109.64 -0.946 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.97 119.66 70.52 Favored Pre-proline 0 N--CA 1.496 1.871 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.44 144.17 84.59 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 CA-C-N 120.001 1.036 . . . . 0.0 109.713 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.27 -34.49 78.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 0.0 109.514 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.02 -24.9 55.72 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -74.51 -51.83 13.61 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.938 -1.33 . . . . 0.0 109.955 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.6 p -63.17 -49.34 74.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 109.989 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.1 -40.37 97.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.749 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -78.27 -17.48 56.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.503 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.17 130.07 39.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.206 -0.933 . . . . 0.0 109.627 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.24 167.68 20.0 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -51.91 -41.61 62.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 110.1 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.12 -48.97 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.04 -1.038 . . . . 0.0 108.97 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.38 -35.91 76.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 109.764 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.91 -51.95 67.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.024 -1.047 . . . . 0.0 109.078 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.71 69.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.007 -1.058 . . . . 0.0 109.614 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.3 m -72.27 -33.55 67.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.176 -0.952 . . . . 0.0 110.041 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.7 -34.4 69.59 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 108.851 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mmm -68.35 -41.56 80.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.936 . . . . 0.0 109.537 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.8 mt -78.05 -40.13 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.958 -1.089 . . . . 0.0 110.27 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.95 -44.85 29.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.782 -1.199 . . . . 0.0 111.372 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -73.15 -41.71 63.62 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.935 -1.103 . . . . 0.0 112.162 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -100.8 -27.47 13.33 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.811 -1.181 . . . . 0.0 111.025 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.13 165.26 24.83 Favored Glycine 0 N--CA 1.505 3.28 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.85 -37.06 73.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.08 -1.247 . . . . 0.0 110.476 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.65 -53.13 14.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.992 -1.068 . . . . 0.0 110.698 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.68 -38.02 80.02 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.018 -1.052 . . . . 0.0 110.476 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.23 -40.56 74.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.847 -1.158 . . . . 0.0 109.578 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -64.53 -37.66 88.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.0 108.902 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.3 88.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.903 . . . . 0.0 109.905 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.83 -37.22 59.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.092 -1.005 . . . . 0.0 109.246 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -63.41 -41.25 98.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.265 -0.897 . . . . 0.0 109.313 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -75.8 -41.91 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.82 . . . . 0.0 109.903 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -64.68 -34.04 77.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.9 -1.125 . . . . 0.0 110.01 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.91 -33.68 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.65 -1.281 . . . . 0.0 108.837 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' ' NH2' ' A' ' 78' ' ' ARG . 4.0 m-30 -56.81 -47.18 80.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.857 -1.152 . . . . 0.0 109.853 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.86 69.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.826 -1.171 . . . . 0.0 109.972 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.86 77.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.164 -0.96 . . . . 0.0 110.532 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 pt -90.03 19.64 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.022 -1.049 . . . . 0.0 109.712 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 1.6 m120 58.67 91.92 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.481 -0.762 . . . . 0.0 110.857 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.559 ' NH2' ' CE2' ' A' ' 73' ' ' PHE . 53.3 mtp180 -144.81 29.21 1.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -47.31 -37.44 10.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.586 -0.696 . . . . 0.0 110.606 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.4 -54.19 8.11 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.125 -0.984 . . . . 0.0 110.098 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -26.52 62.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.182 -0.949 . . . . 0.0 109.125 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.83 -38.61 73.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.957 -1.089 . . . . 0.0 108.773 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.4 -40.64 82.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.138 -0.976 . . . . 0.0 109.254 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.52 -43.63 54.97 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.347 -0.845 . . . . 0.0 109.39 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.98 72.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.02 -27.5 68.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -75.55 -29.29 59.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.937 -1.102 . . . . 0.0 109.562 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.23 -12.63 34.69 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.11 -0.994 . . . . 0.0 109.706 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.45 109.57 1.7 Allowed Pre-proline 0 N--CA 1.504 2.266 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.496 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 CA--C 1.539 0.732 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 m -78.83 -20.55 49.4 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.267 -0.895 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -56.91 -51.17 70.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.183 -0.948 . . . . 0.0 109.747 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.3 m -71.38 -23.79 61.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.183 -0.948 . . . . 0.0 109.837 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -73.65 -52.02 14.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.203 -0.935 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 57' ' ' ILE . 4.2 tp -61.64 -34.56 75.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.032 -1.042 . . . . 0.0 109.48 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.45 80.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.19 -0.944 . . . . 0.0 108.913 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -57.06 -33.1 66.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 109.531 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -70.89 -52.99 16.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.687 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.73 -28.71 68.88 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.446 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -81.71 -24.45 36.17 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.317 -0.865 . . . . 0.0 108.816 179.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.81 -2.04 11.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.169 -0.957 . . . . 0.0 110.025 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.15 159.41 15.03 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 121.022 -1.048 . . . . 0.0 109.386 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.54 159.49 24.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.4 -0.813 . . . . 0.0 109.788 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -47.3 86.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.328 -0.857 . . . . 0.0 109.888 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -32.51 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.982 -1.074 . . . . 0.0 109.132 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.42 -29.24 65.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.979 -1.075 . . . . 0.0 108.41 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.9 -31.39 70.27 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.87 -32.49 70.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.674 -0.641 . . . . 0.0 109.926 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.18 -27.98 59.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.104 -0.997 . . . . 0.0 109.779 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -71.9 -40.33 68.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.982 -1.074 . . . . 0.0 110.092 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -69.86 -46.21 66.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 109.946 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.4 ttm -58.75 -40.67 84.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.586 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -31.06 68.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.189 -0.944 . . . . 0.0 109.72 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.66 -52.43 31.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.145 -0.972 . . . . 0.0 109.965 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.73 -36.26 83.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.0 109.961 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -78.4 36.48 0.25 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.067 -1.021 . . . . 0.0 109.713 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.185 -0.947 . . . . 0.0 109.007 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo . . . . . 0 C--O 1.215 -0.659 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.9 mp -71.5 119.73 75.65 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.12 133.89 57.54 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 CA-C-N 119.921 1.008 . . . . 0.0 109.988 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -64.46 -32.1 73.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.662 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.41 93.46 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.564 -1.303 . . . . 0.0 110.265 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -75.05 -39.31 61.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.705 -1.468 . . . . 0.0 109.873 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.9 m -63.7 -52.5 60.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.009 . . . . 0.0 109.893 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.79 -36.67 85.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.995 -1.065 . . . . 0.0 109.447 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -70.57 -15.41 62.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.825 -1.172 . . . . 0.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.68 131.48 36.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.273 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 34.6 t70 -80.13 -179.9 7.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.235 -0.915 . . . . 0.0 109.294 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 27.1 m-70 -60.28 -47.77 84.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.606 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.17 -48.19 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.95 -1.094 . . . . 0.0 108.742 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.59 -34.47 75.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.64 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.45 -51.19 65.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.35 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.83 69.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.237 -0.914 . . . . 0.0 109.575 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.9 m -70.35 -35.65 73.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.061 -1.025 . . . . 0.0 110.122 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.12 -34.76 71.37 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.038 -1.039 . . . . 0.0 109.118 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 91.2 mtp -71.49 -41.82 68.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.951 . . . . 0.0 109.628 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.58 HD11 HD22 ' A' ' 8' ' ' LEU . 72.8 mt -77.93 -36.97 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.848 -1.158 . . . . 0.0 110.161 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 -46.15 25.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.71 -1.244 . . . . 0.0 111.51 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -78.78 -42.3 28.28 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.809 -1.182 . . . . 0.0 112.563 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.657 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -96.47 -27.42 14.89 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.666 -1.271 . . . . 0.0 110.655 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.22 165.78 29.95 Favored Glycine 0 N--CA 1.503 3.119 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.88 -30.96 67.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -1.193 . . . . 0.0 110.13 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.51 -52.81 19.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.224 -0.923 . . . . 0.0 110.757 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -73.34 -41.52 63.36 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.911 -1.118 . . . . 0.0 110.15 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.48 69.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.836 -1.165 . . . . 0.0 109.874 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -57.5 -46.56 83.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.249 -0.907 . . . . 0.0 109.055 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.84 71.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.127 -0.983 . . . . 0.0 109.972 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mtp -75.85 -32.61 59.84 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.201 -0.937 . . . . 0.0 109.361 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.69 -37.84 85.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.178 -0.951 . . . . 0.0 109.818 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.01 -48.11 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.182 -0.949 . . . . 0.0 110.311 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.01 -33.06 72.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.046 . . . . 0.0 110.429 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.0 mt -72.92 -34.35 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 120.516 -1.365 . . . . 0.0 109.044 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.8 m-30 -57.24 -47.3 81.72 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.868 -1.145 . . . . 0.0 109.76 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.17 69.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.905 -1.122 . . . . 0.0 109.845 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.73 80.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.12 -0.987 . . . . 0.0 110.089 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -83.98 18.76 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.119 -0.988 . . . . 0.0 109.684 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 56.04 83.72 0.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.339 -0.851 . . . . 0.0 109.721 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -159.3 30.53 0.2 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -50.26 -32.42 16.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.672 -0.643 . . . . 0.0 111.093 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -58.58 -40.62 83.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.673 -1.267 . . . . 0.0 109.545 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.36 -25.95 67.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.929 . . . . 0.0 110.18 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -70.25 -35.93 74.12 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.695 -1.253 . . . . 0.0 108.54 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -62.39 -42.95 99.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.126 -0.984 . . . . 0.0 108.758 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.09 -44.53 63.09 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.84 -32.1 51.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -70.78 -27.7 64.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 87' ' ' ARG . 1.9 mmt-85 -78.87 -28.49 44.19 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.828 -1.17 . . . . 0.0 109.874 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.33 -3.46 50.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 109.502 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.6 109.49 1.59 Allowed Pre-proline 0 N--CA 1.503 2.192 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.15 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 C--O 1.214 -0.723 0 N-CA-C 109.452 -1.018 . . . . 0.0 109.452 -179.661 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 m -67.49 -20.12 65.42 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -60.43 -51.09 70.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 0.0 109.74 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.62 -27.71 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.09 -43.13 68.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.191 -0.943 . . . . 0.0 109.681 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.42 -43.85 80.23 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.232 -0.918 . . . . 0.0 108.881 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -39.82 93.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.877 -1.139 . . . . 0.0 108.872 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -57.24 -33.08 67.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.22 -55.26 11.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.159 -0.963 . . . . 0.0 109.365 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.36 -26.56 68.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.067 -1.021 . . . . 0.0 108.753 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.34 -30.08 33.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.423 -0.798 . . . . 0.0 109.434 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.69 -2.41 9.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.973 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.27 168.38 11.13 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.917 -1.114 . . . . 0.0 109.038 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.82 164.37 26.13 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.321 -0.862 . . . . 0.0 109.062 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.58 -47.34 76.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.15 -33.02 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.961 -1.087 . . . . 0.0 108.819 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.24 -29.22 67.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.978 -1.076 . . . . 0.0 108.18 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.57 -31.21 71.78 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -66.19 -43.24 87.4 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.676 -0.64 . . . . 0.0 109.974 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 2.1 mptm? -63.49 -29.72 70.96 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.153 -0.967 . . . . 0.0 109.32 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.95 -43.25 71.95 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.888 -1.132 . . . . 0.0 109.978 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.37 -47.15 51.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.984 -1.073 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.6 ttt -58.13 -38.82 77.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 109.573 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 2.3 m80 -69.95 -31.18 68.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.111 -0.993 . . . . 0.0 109.338 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.06 -41.64 86.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.108 -0.995 . . . . 0.0 109.322 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.01 -31.96 72.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -89.62 29.54 1.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.2 -0.938 . . . . 0.0 109.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 t80 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 108.895 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo . . . . . 0 CA--C 1.539 0.755 0 N-CA-C 109.908 -0.843 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.15 123.41 88.01 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -52.29 135.77 53.99 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 CA-C-N 120.024 1.044 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.472 HH12 ' CD ' ' A' ' 45' ' ' GLU . 2.4 ttt-85 -63.9 -48.67 75.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.82 -29.4 50.13 Favored Glycine 0 N--CA 1.504 3.202 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -75.06 -40.07 60.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.069 -1.253 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -69.84 -46.97 64.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.214 -0.929 . . . . 0.0 109.758 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CD ' HH12 ' A' ' 41' ' ' ARG . 70.2 mm-40 -59.89 -39.65 86.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.967 -1.083 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -75.2 -14.76 60.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.904 -1.123 . . . . 0.0 109.147 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.22 126.05 30.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.224 -0.923 . . . . 0.0 109.617 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.35 169.63 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 109.089 179.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 1.9 p-80 -52.16 -44.87 64.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.121 -0.987 . . . . 0.0 110.101 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -68.71 -49.61 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.147 -0.97 . . . . 0.0 108.871 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -34.13 70.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.357 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.35 -51.67 66.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.043 -1.035 . . . . 0.0 108.977 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.79 65.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 m -73.81 -33.34 64.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.099 -1.0 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.95 -34.72 69.22 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.91 -1.119 . . . . 0.0 108.799 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.7 mmm -70.96 -42.98 69.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 109.642 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -77.81 -38.03 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.962 -1.086 . . . . 0.0 110.23 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -76.87 -42.33 40.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.875 -1.141 . . . . 0.0 111.546 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -83.24 -41.94 17.78 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.794 -1.191 . . . . 0.0 112.548 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -98.53 -27.88 13.84 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.29 176.33 39.01 Favored Glycine 0 N--CA 1.504 3.215 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 36.2 mp0 -70.94 -44.49 66.01 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.334 -1.098 . . . . 0.0 110.865 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -64.17 -49.27 72.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.802 -1.186 . . . . 0.0 112.041 -177.36 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 88.9 mttt -73.83 -42.18 61.23 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.346 -1.471 . . . . 0.0 109.661 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.66 -50.39 65.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.917 -1.114 . . . . 0.0 110.287 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -60.58 -35.3 75.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.125 -0.985 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.15 88.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.225 -0.922 . . . . 0.0 109.718 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.9 mtp -76.36 -32.31 58.55 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.219 -0.926 . . . . 0.0 109.295 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.77 81.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.913 . . . . 0.0 110.319 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 71' ' ' TRP . 14.6 p -75.67 -40.42 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.114 -0.991 . . . . 0.0 110.234 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' N ' HG13 ' A' ' 70' ' ' VAL . 86.8 t90 -65.98 -29.55 69.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.198 -0.938 . . . . 0.0 110.408 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.27 -42.25 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.506 -1.371 . . . . 0.0 109.621 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -56.84 -47.41 80.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.332 -1.48 . . . . 0.0 109.769 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.68 68.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.727 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.78 64.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 110.799 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.52 18.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.795 -1.19 . . . . 0.0 110.411 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.38 75.44 0.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.157 -0.965 . . . . 0.0 109.738 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -143.49 45.47 1.51 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -46.24 -32.94 3.34 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -54.53 -40.66 68.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.992 -1.068 . . . . 0.0 109.693 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.77 -25.36 66.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.824 . . . . 0.0 109.031 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -67.29 -33.77 75.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.861 -1.15 . . . . 0.0 109.176 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.66 -47.27 48.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.899 . . . . 0.0 110.365 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -74.58 -36.61 63.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.107 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.62 76.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.959 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -70.66 -27.48 64.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.174 -0.954 . . . . 0.0 110.092 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -83.71 -27.32 29.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.848 -1.157 . . . . 0.0 110.247 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -86.07 -2.63 58.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.019 -1.051 . . . . 0.0 110.02 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.33 114.8 8.37 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 121.099 -1.001 . . . . 0.0 108.464 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -67.78 -23.09 65.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.077 -1.014 . . . . 0.0 108.826 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 5' ' ' ARG . 20.5 mtt-85 -60.28 -51.02 71.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 109.523 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.5 p -59.68 -34.05 72.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.244 -0.91 . . . . 0.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.84 -51.83 55.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.296 -0.878 . . . . 0.0 109.467 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.19 -32.58 48.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.907 -1.12 . . . . 0.0 109.643 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.54 79.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.205 -0.934 . . . . 0.0 110.069 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.6 -33.82 73.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.157 -0.964 . . . . 0.0 110.054 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -72.07 -43.67 64.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -73.52 -26.75 61.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.097 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -81.79 -27.51 33.68 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -61.48 -5.63 1.88 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 109.852 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.33 160.44 26.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.209 -0.932 . . . . 0.0 109.788 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.57 161.72 30.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.499 -0.751 . . . . 0.0 109.406 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -47.67 81.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.955 . . . . 0.0 109.907 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.38 -32.45 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.023 -1.048 . . . . 0.0 108.96 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.02 -28.96 63.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.922 -1.111 . . . . 0.0 108.396 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -60.18 -39.05 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.2 -39.84 78.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.267 -0.895 . . . . 0.0 110.371 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -66.69 -40.41 88.51 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.033 -1.042 . . . . 0.0 109.925 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -63.47 -44.39 94.58 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.28 -0.887 . . . . 0.0 109.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -72.91 -48.16 39.48 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.023 -1.048 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.81 -38.93 92.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 0.0 109.776 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -69.78 -31.0 68.69 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.02 -50.27 71.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.194 -0.941 . . . . 0.0 109.7 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.48 -26.95 64.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.078 -1.014 . . . . 0.0 110.103 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -76.53 15.36 0.63 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.076 -1.015 . . . . 0.0 110.08 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.4 t80 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.054 -1.029 . . . . 0.0 108.248 179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo . . . . . 0 CA--C 1.54 0.777 0 N-CA-C 109.688 -0.928 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.7 mp -75.97 119.59 77.86 Favored Pre-proline 0 N--CA 1.494 1.738 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -56.18 135.95 72.66 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 CA-C-N 119.903 1.001 . . . . 0.0 109.79 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -64.25 -31.71 73.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.356 -0.84 . . . . 0.0 109.714 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.15 95.13 Favored Glycine 0 N--CA 1.502 3.044 0 C-N-CA 119.571 -1.3 . . . . 0.0 110.112 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.27 -52.06 11.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.859 -1.377 . . . . 0.0 109.965 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.6 m -60.95 -35.16 76.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -0.982 . . . . 0.0 109.649 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.86 -42.14 73.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.207 -0.933 . . . . 0.0 109.328 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.21 -11.71 54.3 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.846 -1.159 . . . . 0.0 109.528 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 129.9 41.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.38 171.82 14.57 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.345 -0.847 . . . . 0.0 108.775 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -56.52 -45.38 81.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.007 -1.058 . . . . 0.0 109.735 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.31 -52.64 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.056 -1.028 . . . . 0.0 108.986 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.63 -35.87 71.06 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 109.671 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.33 -49.54 71.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.148 -0.97 . . . . 0.0 109.627 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -29.06 69.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.155 -0.966 . . . . 0.0 110.007 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -71.73 -34.34 69.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.972 -1.08 . . . . 0.0 110.032 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.43 -34.8 70.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.05 -1.031 . . . . 0.0 108.598 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 ttm -67.59 -40.67 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.332 -0.855 . . . . 0.0 109.65 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.0 -35.56 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.743 -1.223 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.82 -51.07 12.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.764 -1.21 . . . . 0.0 111.834 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.3 -41.91 38.92 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.543 -1.348 . . . . 0.0 112.371 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -92.69 -27.45 17.26 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 120.267 -1.52 . . . . 0.0 110.478 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 164.06 31.09 Favored Glycine 0 N--CA 1.503 3.16 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.02 -34.49 73.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 110.339 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -53.24 19.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.035 -1.041 . . . . 0.0 110.424 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -72.23 -37.83 69.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.972 -1.08 . . . . 0.0 110.431 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.51 -49.72 66.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.746 -1.221 . . . . 0.0 109.854 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 108.656 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.4 72.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.2 mmm -76.21 -34.37 59.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.128 -0.983 . . . . 0.0 109.072 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 73' ' ' PHE . . . -65.14 -41.45 94.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.21 -0.931 . . . . 0.0 110.094 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 71' ' ' TRP . 35.2 m -76.71 -41.57 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.647 -1.283 . . . . 0.0 110.317 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.422 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.4 t90 -73.23 -30.24 63.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.061 -1.025 . . . . 0.0 111.296 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 73' ' ' PHE . 17.9 tt -72.07 -45.62 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 120.515 -1.366 . . . . 0.0 109.783 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 69' ' ' ALA . 20.0 m-85 -56.82 -46.48 81.62 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.545 -1.347 . . . . 0.0 109.492 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.04 -28.03 55.71 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.775 -1.203 . . . . 0.0 110.081 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.67 -46.68 81.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.081 -1.012 . . . . 0.0 109.986 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 76' ' ' ILE . 12.9 pt -79.88 19.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.098 -1.002 . . . . 0.0 109.428 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 54.45 24.89 5.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.715 -0.616 . . . . 0.0 111.171 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -92.53 50.63 1.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.002 -1.061 . . . . 0.0 108.341 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 79' ' ' ARG . 24.8 ttt-85 -55.18 -27.72 47.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.829 -0.544 . . . . 0.0 111.527 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -52.36 -46.56 66.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.697 -1.252 . . . . 0.0 110.876 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.78 -26.26 66.01 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.793 -1.192 . . . . 0.0 109.595 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -62.48 -33.75 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.508 -1.37 . . . . 0.0 108.787 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -72.65 -41.52 65.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.868 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -74.22 -52.81 11.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.974 -1.079 . . . . 0.0 110.099 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.68 -29.02 36.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.108 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -67.93 -27.53 66.7 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -79.81 -28.9 40.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.969 -1.082 . . . . 0.0 109.969 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.23 -2.78 58.07 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.06 -1.025 . . . . 0.0 109.739 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.2 pt-20 -55.74 120.05 29.86 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.184 -0.948 . . . . 0.0 108.999 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 N-CA-C 109.537 -0.986 . . . . 0.0 109.537 -179.813 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.259 0.552 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.64 -25.64 57.06 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.251 -0.906 . . . . 0.0 109.237 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -61.46 -39.4 90.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.664 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -70.49 -40.63 73.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.318 -0.864 . . . . 0.0 109.927 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.77 -51.84 30.49 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.157 -0.965 . . . . 0.0 109.945 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.56 -38.58 75.03 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.133 -0.979 . . . . 0.0 109.057 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.95 -27.82 63.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.153 -0.967 . . . . 0.0 109.492 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -69.98 -33.17 71.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 110.048 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -74.66 -53.64 8.92 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.058 -1.027 . . . . 0.0 109.631 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.27 -26.04 62.48 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.022 -1.049 . . . . 0.0 108.897 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.44 -22.18 38.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.168 -0.958 . . . . 0.0 108.962 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.03 -2.26 20.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.22 -0.925 . . . . 0.0 109.895 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.68 150.85 22.16 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.08 160.06 29.66 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.21 -47.51 85.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 109.938 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.64 -39.1 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -72.36 -29.13 63.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.62 -37.17 82.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.029 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 21' ' ' LYS . 7.8 mtpm? -69.83 -32.94 71.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.074 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 9.9 mtpm? -70.09 -28.38 65.37 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.056 -1.028 . . . . 0.0 109.175 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 72' ' ' ILE . 37.8 t80 -70.66 -39.35 73.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.997 -1.064 . . . . 0.0 109.379 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HZ3' HD13 ' A' ' 52' ' ' LEU . 51.0 mmtt -65.7 -50.02 66.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.096 -1.002 . . . . 0.0 109.483 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.5 ttm -65.57 -34.66 78.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.862 . . . . 0.0 109.963 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -69.19 -31.01 69.33 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.178 -0.951 . . . . 0.0 109.41 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.05 -32.24 64.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.082 -1.011 . . . . 0.0 109.264 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 30' ' ' TYR . 96.7 mt-10 -70.73 -30.55 67.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.874 . . . . 0.0 109.752 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -74.41 35.98 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 109.619 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.446 ' H ' ' C ' ' A' ' 28' ' ' GLU . 25.2 t80 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 108.517 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 C--O 1.214 -0.688 0 N-CA-C 109.378 -1.047 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -80.35 118.74 73.84 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -55.46 140.67 82.95 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 119.811 0.968 . . . . 0.0 109.821 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.54 -44.95 89.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.009 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -25.04 53.85 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.55 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.8 -52.51 11.23 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.407 . . . . 0.0 110.363 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -64.22 -34.27 77.72 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.864 -1.147 . . . . 0.0 109.967 -178.698 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.48 -40.37 77.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.778 -1.201 . . . . 0.0 109.443 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.35 -16.23 46.88 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.833 -1.167 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.35 129.42 39.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.006 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 16.8 m-20 -80.36 165.4 22.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.257 -0.902 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 10.2 p-80 -56.89 -31.96 65.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.181 -0.95 . . . . 0.0 110.442 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.22 -53.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.093 -1.004 . . . . 0.0 110.332 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 2.6 p30 -69.44 -34.35 74.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.989 -1.07 . . . . 0.0 109.769 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 11.7 tp -55.01 -51.23 66.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.906 -1.121 . . . . 0.0 109.625 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -29.08 70.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.177 -0.952 . . . . 0.0 109.965 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.6 m -75.51 -37.23 60.26 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.861 . . . . 0.0 110.646 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.17 -34.19 68.28 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.883 -1.136 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.6 ttt -65.38 -42.5 92.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.224 -0.923 . . . . 0.0 110.278 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.41 -40.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.464 0 O-C-N 120.682 -1.261 . . . . 0.0 110.481 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.72 -51.2 13.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.024 . . . . 0.0 111.481 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.55 -41.27 55.3 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.965 -1.085 . . . . 0.0 111.914 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -92.63 -27.31 17.39 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.687 -1.258 . . . . 0.0 109.659 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.24 142.89 8.45 Favored Glycine 0 N--CA 1.505 3.275 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.92 -40.38 97.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 0.0 109.256 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.43 -52.8 16.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.151 -0.968 . . . . 0.0 109.903 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -62.88 -38.33 90.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 109.877 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.52 -53.24 57.05 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.964 -1.085 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -53.95 -40.13 66.54 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.021 -1.049 . . . . 0.0 109.447 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.85 83.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.9 mmm -75.93 -32.43 59.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.087 -1.008 . . . . 0.0 109.035 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -69.16 -43.46 74.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.87 . . . . 0.0 110.401 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 71' ' ' TRP . 23.6 m -75.65 -43.67 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.044 -1.035 . . . . 0.0 110.546 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.491 ' N ' HG23 ' A' ' 70' ' ' VAL . 71.7 t90 -66.02 -32.76 74.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.944 -1.097 . . . . 0.0 109.956 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.41 HG21 ' CE2' ' A' ' 23' ' ' PHE . 5.2 mm -72.48 -34.12 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 120.654 -1.279 . . . . 0.0 108.688 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.35 -47.51 81.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.805 -1.184 . . . . 0.0 109.793 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.96 68.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.937 -1.102 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -67.26 -40.9 86.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 0.0 110.423 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -70.67 5.25 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.015 -1.053 . . . . 0.0 109.012 -179.305 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.496 ' CG ' HH22 ' A' ' 79' ' ' ARG . 4.2 t30 62.87 47.71 4.35 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.557 -0.714 . . . . 0.0 109.66 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 78' ' ' ARG . 15.9 mtt-85 -135.1 50.89 2.12 Favored 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.496 HH22 ' CG ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -54.4 -28.82 46.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.241 -0.912 . . . . 0.0 110.51 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.19 -46.53 72.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -26.63 68.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.623 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.09 -34.43 71.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.694 -1.254 . . . . 0.0 108.882 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.0 -41.42 98.03 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.2 -0.937 . . . . 0.0 108.758 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -74.8 -48.34 25.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.386 -0.821 . . . . 0.0 109.408 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.77 -33.64 56.5 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.278 -0.889 . . . . 0.0 109.428 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -67.74 -27.43 66.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -79.41 -29.92 42.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.898 -1.126 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -94.65 -4.18 48.11 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.225 -0.922 . . . . 0.0 109.799 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -54.87 109.32 1.51 Allowed Pre-proline 0 N--CA 1.503 2.216 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.514 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 109.325 -1.067 . . . . 0.0 109.325 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -68.29 -28.62 67.34 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -54.18 -42.49 69.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -67.84 -25.37 65.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.355 -0.841 . . . . 0.0 109.266 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -73.68 -46.3 47.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.333 -0.854 . . . . 0.0 110.043 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.04 -33.59 72.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.075 -1.016 . . . . 0.0 109.779 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.56 94.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.145 -0.972 . . . . 0.0 109.681 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.54 -32.94 74.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.91 -55.05 29.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.191 -0.943 . . . . 0.0 109.621 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.64 -26.2 61.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.978 -1.076 . . . . 0.0 108.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.34 -29.51 34.1 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.127 -0.983 . . . . 0.0 109.052 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -68.01 1.01 2.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.963 . . . . 0.0 109.725 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.2 158.77 15.94 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -65.37 162.59 17.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.388 -0.82 . . . . 0.0 109.884 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.07 -47.56 70.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 0.0 110.093 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.23 -40.0 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.953 -1.092 . . . . 0.0 109.155 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -63.28 -29.46 70.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.001 -1.062 . . . . 0.0 108.614 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.79 -31.33 71.89 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -65.38 -37.45 87.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.654 -0.654 . . . . 0.0 109.651 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -70.39 -28.13 64.85 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.072 -1.017 . . . . 0.0 109.617 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -67.84 -42.59 81.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.835 -1.166 . . . . 0.0 109.678 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -72.36 -47.8 46.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.049 -1.032 . . . . 0.0 109.613 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.75 -35.35 68.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 109.465 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -41.86 75.26 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.218 -0.927 . . . . 0.0 109.462 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -74.34 -31.71 62.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.179 -0.951 . . . . 0.0 108.817 -179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.88 -14.45 59.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.357 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -141.15 60.01 1.51 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.367 -0.833 . . . . 0.0 108.946 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.5 t80 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 109.519 -0.993 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -75.56 125.13 88.98 Favored Pre-proline 0 N--CA 1.494 1.774 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -51.55 134.82 47.18 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 120.061 1.057 . . . . 0.0 109.888 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.468 HH11 ' CG ' ' A' ' 41' ' ' ARG . 8.4 mtt-85 -63.97 -32.0 73.39 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.988 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.75 94.78 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.305 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.72 -51.82 11.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.719 -1.46 . . . . 0.0 109.893 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.0 m -56.89 -46.5 81.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.295 -0.878 . . . . 0.0 110.474 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.33 -43.66 73.27 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.583 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -73.62 -17.29 61.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.973 -1.079 . . . . 0.0 109.665 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.42 133.52 55.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -80.32 168.07 19.48 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 109.084 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -53.22 -49.51 66.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 109.824 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.38 -46.25 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.029 -1.045 . . . . 0.0 108.743 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.11 -34.76 73.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.0 109.462 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.0 -52.04 64.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.108 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.64 70.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.075 -1.016 . . . . 0.0 109.709 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.3 m -72.7 -33.1 66.26 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.151 -0.968 . . . . 0.0 110.261 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.19 -34.03 70.51 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.83 -1.169 . . . . 0.0 108.718 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.5 mtp -67.15 -40.53 86.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.389 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.5 -41.27 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.07 -1.019 . . . . 0.0 110.411 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.67 -41.23 46.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.671 -1.268 . . . . 0.0 111.416 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.83 -41.75 67.81 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.047 -1.033 . . . . 0.0 112.295 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -107.38 -27.54 10.4 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.999 -1.063 . . . . 0.0 111.184 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.07 167.93 22.24 Favored Glycine 0 N--CA 1.507 3.429 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -71.04 -35.74 72.08 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.081 -1.247 . . . . 0.0 110.623 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -71.69 -53.08 14.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -67.18 -38.52 85.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.099 -1.001 . . . . 0.0 109.788 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.72 -49.01 69.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.931 -1.106 . . . . 0.0 110.061 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -58.86 -47.8 83.61 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.079 -1.013 . . . . 0.0 109.044 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.31 -36.54 66.31 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 109.724 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 36.6 mmm -76.21 -33.95 59.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.314 -0.866 . . . . 0.0 109.134 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.412 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.4 -37.94 83.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.013 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.97 -55.16 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.182 -0.948 . . . . 0.0 110.398 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.8 -29.75 55.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 110.819 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.77 -41.94 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.346 0 O-C-N 120.605 -1.309 . . . . 0.0 109.912 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 6.6 m-85 -57.37 -47.13 82.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.269 -1.519 . . . . 0.0 109.719 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.93 -28.21 67.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.619 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.37 78.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.092 -1.005 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.436 HD12 ' HE ' ' A' ' 78' ' ' ARG . 17.4 pt -85.96 18.94 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 t30 58.88 77.97 0.28 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.58 -0.7 . . . . 0.0 110.604 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HE ' HD12 ' A' ' 76' ' ' ILE . 35.4 mtt-85 -154.01 36.04 0.44 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -48.05 -29.22 3.35 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.469 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.16 -29.2 63.44 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.966 -1.084 . . . . 0.0 109.324 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -72.11 -26.23 62.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -71.96 -34.74 69.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.722 -1.236 . . . . 0.0 108.573 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -66.42 -44.33 83.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.958 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.91 -36.8 62.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.124 -0.985 . . . . 0.0 109.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.25 69.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.37 -27.63 64.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.03 -30.48 28.05 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.838 -1.164 . . . . 0.0 110.17 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.92 -2.93 55.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.129 -0.982 . . . . 0.0 109.475 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.8 pt-20 -56.03 122.72 49.46 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.218 -0.926 . . . . 0.0 109.113 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 CA--C 1.537 0.672 0 N-CA-C 109.482 -1.007 . . . . 0.0 109.482 -179.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.336 0.589 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -69.44 -14.24 62.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.306 -0.871 . . . . 0.0 109.022 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.41 -47.73 80.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.235 -0.916 . . . . 0.0 109.746 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 p -70.69 -30.9 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.003 . . . . 0.0 109.684 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.56 -46.34 69.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 110.022 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.35 -37.39 80.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.151 -0.968 . . . . 0.0 109.521 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.62 74.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 10' ' ' ARG . 3.7 ttt-85 -59.18 -33.55 71.08 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.474 -0.766 . . . . 0.0 109.62 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.56 -53.8 7.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.063 -1.023 . . . . 0.0 110.21 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -63.73 -26.47 68.66 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.032 -1.043 . . . . 0.0 109.276 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -81.12 -26.78 35.9 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.341 -0.85 . . . . 0.0 109.09 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.13 -2.72 25.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -87.19 161.23 18.17 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.72 -1.238 . . . . 0.0 109.441 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -70.32 161.35 30.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.473 -0.767 . . . . 0.0 109.83 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.44 -47.38 85.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.111 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.14 -38.61 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.475 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 35.8 t0 -72.7 -29.43 63.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.877 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.05 -36.28 79.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.979 -1.076 . . . . 0.0 108.688 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -72.42 -42.31 65.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -62.98 -48.83 77.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.286 -0.883 . . . . 0.0 109.24 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CE2' HG21 ' A' ' 72' ' ' ILE . 28.8 t80 -57.04 -38.01 72.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.336 -0.852 . . . . 0.0 109.379 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.07 -41.41 67.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.514 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.59 -42.22 87.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 0.0 110.085 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -70.21 -31.31 68.69 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.993 -1.067 . . . . 0.0 109.702 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.28 -52.35 19.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.994 -1.066 . . . . 0.0 110.013 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' CD ' HH12 ' A' ' 41' ' ' ARG . 2.4 pp20? -67.53 -34.04 76.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.922 -1.111 . . . . 0.0 109.61 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 24.8 t0 -74.5 12.56 0.76 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.1 t80 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 108.557 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 N-CA-C 109.561 -0.976 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.6 mp -71.64 120.14 78.2 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -52.86 133.94 52.93 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 119.891 0.997 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.494 HH12 ' CD ' ' A' ' 28' ' ' GLU . 23.6 ttm-85 -64.39 -35.49 81.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.389 -0.82 . . . . 0.0 109.855 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.99 -38.95 96.09 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.705 -1.236 . . . . 0.0 110.334 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -74.9 -49.28 20.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.853 -1.381 . . . . 0.0 109.87 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.8 m -64.79 -36.43 84.29 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.223 -0.923 . . . . 0.0 109.854 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -68.29 -42.86 78.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.973 -1.079 . . . . 0.0 108.982 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.85 -15.93 57.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 109.2 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.27 128.19 35.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.32 171.42 15.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.213 -0.929 . . . . 0.0 108.897 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -54.74 -42.83 72.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.043 -1.036 . . . . 0.0 109.808 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.9 t -69.69 -52.48 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.013 -1.055 . . . . 0.0 108.827 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -56.89 -38.26 72.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.02 -46.13 71.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 0.0 109.436 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.57 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.193 -0.942 . . . . 0.0 109.632 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -71.58 -38.97 70.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.181 -0.949 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.1 mp -71.46 -35.9 71.03 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.733 -1.229 . . . . 0.0 109.213 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.1 mtp -71.47 -43.24 66.98 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.009 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.6 mt -77.67 -38.78 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 120.79 -1.194 . . . . 0.0 110.143 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.97 -48.59 17.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 111.673 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.39 -41.63 17.94 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.906 -1.121 . . . . 0.0 112.571 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -92.68 -27.45 17.26 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.576 -1.328 . . . . 0.0 110.158 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.53 161.59 29.1 Favored Glycine 0 N--CA 1.502 3.076 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.72 -34.2 71.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -1.023 . . . . 0.0 110.323 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.28 -52.79 20.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.093 -1.004 . . . . 0.0 110.536 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.26 -40.05 64.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.933 -1.104 . . . . 0.0 110.247 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.6 67.36 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.854 -1.153 . . . . 0.0 110.005 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -64.38 -46.7 82.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.03 -1.044 . . . . 0.0 108.636 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.9 -41.63 64.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.138 -0.977 . . . . 0.0 109.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.9 tpp -70.85 -32.55 69.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.136 -0.977 . . . . 0.0 109.249 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.54 -34.44 77.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 0.0 110.27 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.01 -55.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.058 -1.026 . . . . 0.0 110.577 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -55.23 -30.0 59.14 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 110.933 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG21 ' CE2' ' A' ' 23' ' ' PHE . 52.1 mt -73.2 -40.7 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 120.543 -1.348 . . . . 0.0 109.965 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 10.3 m-85 -56.76 -46.91 81.13 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.231 -1.543 . . . . 0.0 109.689 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -27.91 63.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.84 63.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 110.348 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 76' ' ' ILE . 18.2 pt -85.9 19.32 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.996 -1.065 . . . . 0.0 109.683 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.56 81.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.545 -0.722 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 90.0 mtt180 -156.62 35.99 0.31 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -47.43 -28.84 2.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.553 -0.717 . . . . 0.0 110.549 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -57.0 -32.45 66.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -69.21 -26.23 64.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.394 -0.816 . . . . 0.0 109.642 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.28 -34.11 65.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.803 -1.186 . . . . 0.0 108.696 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.58 -43.5 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -75.83 -35.9 59.83 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.914 -1.116 . . . . 0.0 109.888 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.07 70.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 110.386 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -65.84 -28.31 68.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.93 -1.106 . . . . 0.0 108.983 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -73.86 -27.67 61.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.125 -0.984 . . . . 0.0 109.917 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -97.22 -9.34 27.93 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.19 -0.944 . . . . 0.0 110.05 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.32 109.89 1.89 Allowed Pre-proline 0 N--CA 1.504 2.247 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.531 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.539 0.745 0 N-CA-C 109.174 -1.125 . . . . 0.0 109.174 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -68.73 -38.29 80.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.122 -0.986 . . . . 0.0 108.837 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.76 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -59.34 -32.89 70.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 109.211 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.76 -47.17 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.703 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.6 -33.09 74.84 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.003 -1.06 . . . . 0.0 109.656 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.15 95.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.165 -0.96 . . . . 0.0 110.082 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.66 -32.98 71.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.141 -0.974 . . . . 0.0 109.684 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.37 -46.67 63.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.214 -0.929 . . . . 0.0 109.463 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.38 -26.06 62.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 109.095 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.43 -28.01 34.44 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.187 -0.945 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -61.91 -13.74 27.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.908 -1.12 . . . . 0.0 109.913 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.18 -178.46 3.91 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.64 160.21 15.5 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.17 -47.63 82.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.64 -39.74 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.091 -1.005 . . . . 0.0 109.35 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.82 -29.04 68.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.072 -1.017 . . . . 0.0 108.838 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -64.93 -31.58 72.88 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -74.64 -43.47 55.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.285 -0.885 . . . . 0.0 110.834 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 28.2 mtmm -67.23 -28.07 67.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.863 -1.148 . . . . 0.0 109.852 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.81 -47.07 61.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.867 -1.146 . . . . 0.0 109.744 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -68.05 -40.62 82.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.973 -1.079 . . . . 0.0 109.537 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.06 -33.93 65.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 109.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -66.92 -47.25 72.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.89 -31.05 62.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.46 -14.54 57.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.0 109.322 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -152.57 55.82 0.8 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.025 -1.047 . . . . 0.0 109.644 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 t80 . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.696 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 109.434 -1.026 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.9 mp -71.62 120.19 78.46 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -54.3 133.87 58.1 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-N 119.933 1.012 . . . . 0.0 109.873 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -63.48 -31.86 73.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.366 -0.834 . . . . 0.0 109.498 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 -38.9 93.48 Favored Glycine 0 N--CA 1.504 3.207 0 C-N-CA 119.589 -1.291 . . . . 0.0 109.878 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -75.78 -33.29 60.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.833 -1.392 . . . . 0.0 109.654 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 m -75.17 -48.51 23.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.299 -0.876 . . . . 0.0 110.624 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.0 -41.85 83.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.782 -1.199 . . . . 0.0 109.503 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.51 -17.07 61.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.994 -1.066 . . . . 0.0 109.526 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.5 29.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.989 . . . . 0.0 109.689 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.49 170.35 16.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.324 -0.86 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -50.36 -47.53 56.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.196 -0.94 . . . . 0.0 110.833 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.24 -37.37 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 120.965 -1.084 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -71.63 -38.23 70.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.203 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -55.87 -51.19 68.42 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.793 -1.192 . . . . 0.0 109.211 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.78 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.143 -0.973 . . . . 0.0 109.555 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.0 m -72.13 -33.64 67.95 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.283 -0.886 . . . . 0.0 110.227 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.2 -34.11 68.14 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.0 -1.062 . . . . 0.0 109.237 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mtp -65.87 -43.17 89.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.266 -0.896 . . . . 0.0 110.113 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.8 pt -79.24 -40.21 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 O-C-N 120.868 -1.145 . . . . 0.0 110.59 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.0 -42.46 48.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.026 -1.046 . . . . 0.0 111.339 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -77.63 -42.46 34.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.853 -1.154 . . . . 0.0 111.891 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -97.91 -27.05 14.45 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.885 -1.134 . . . . 0.0 110.114 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.49 156.58 10.24 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.84 -44.12 81.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.272 -1.134 . . . . 0.0 109.549 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 21.3 mp0 -71.59 -47.52 54.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.167 -0.958 . . . . 0.0 110.135 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -59.79 -38.07 80.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.034 . . . . 0.0 109.998 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.93 99.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.025 -1.047 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -60.14 -36.1 76.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.923 -1.111 . . . . 0.0 109.611 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.03 82.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.988 -1.07 . . . . 0.0 110.112 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 79.8 mtp -76.11 -32.18 59.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.055 -1.028 . . . . 0.0 108.993 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.64 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.495 -0.753 . . . . 0.0 110.523 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 71' ' ' TRP . 30.2 m -75.66 -39.75 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.035 -1.04 . . . . 0.0 110.514 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.432 ' N ' HG23 ' A' ' 70' ' ' VAL . 84.0 t90 -67.72 -30.13 69.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.01 -1.056 . . . . 0.0 110.349 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.1 mt -73.03 -41.41 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.704 -1.248 . . . . 0.0 109.644 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -56.9 -46.98 81.56 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.375 -1.453 . . . . 0.0 109.701 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.96 68.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.921 -1.112 . . . . 0.0 109.675 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.78 70.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.159 -0.963 . . . . 0.0 110.428 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 pt -79.11 19.76 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.056 -1.027 . . . . 0.0 109.774 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m120 57.9 65.32 1.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.68 -0.638 . . . . 0.0 110.431 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.482 HH21 ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -138.58 47.28 1.97 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.633 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 79' ' ' ARG . 2.1 mmt-85 -46.66 -28.54 1.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.658 -0.651 . . . . 0.0 110.952 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.482 ' CG ' HH21 ' A' ' 78' ' ' ARG . 13.5 p-10 -53.37 -35.03 59.85 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.932 -1.105 . . . . 0.0 109.899 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.02 -26.12 62.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.156 -0.965 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -68.01 -34.43 76.49 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.798 -1.189 . . . . 0.0 109.572 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.17 -45.63 55.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.081 -1.012 . . . . 0.0 110.088 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -74.73 -52.06 12.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.052 -1.03 . . . . 0.0 110.177 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.66 -42.17 67.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.01 -27.66 63.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.957 . . . . 0.0 109.734 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -88.14 -27.21 22.04 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.897 -1.127 . . . . 0.0 110.501 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -96.19 -2.62 45.9 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.197 -0.939 . . . . 0.0 110.132 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.56 122.92 48.0 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 120.912 -1.117 . . . . 0.0 109.051 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 CA--C 1.54 0.789 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 -179.571 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -34.2 73.47 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.22 -0.925 . . . . 0.0 108.821 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 5' ' ' ARG . 8.5 mtt-85 -55.59 -39.68 71.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.604 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.06 -27.26 67.96 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.317 -0.864 . . . . 0.0 109.445 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.502 ' NZ ' HH11 ' A' ' 10' ' ' ARG . 8.9 mmpt? -70.81 -52.09 22.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 8' ' ' LEU . 11.2 mp -54.88 -33.34 61.85 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.07 72.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -0.978 . . . . 0.0 109.364 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.502 HH11 ' NZ ' ' A' ' 7' ' ' LYS . 55.5 mtp180 -74.44 -33.33 62.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 109.993 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -75.51 -54.38 7.1 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.002 -1.061 . . . . 0.0 110.234 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.18 -26.29 64.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 108.919 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -81.78 -28.1 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.125 -0.985 . . . . 0.0 109.358 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.84 -1.61 4.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.003 -1.061 . . . . 0.0 109.839 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.35 156.11 17.17 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.247 -0.908 . . . . 0.0 109.335 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.42 159.28 27.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.334 -0.854 . . . . 0.0 109.55 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -47.39 82.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 109.848 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -59.58 -39.5 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.018 -1.051 . . . . 0.0 109.41 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' NH2' ' A' ' 78' ' ' ARG . 7.1 t70 -66.15 -29.5 69.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.068 -1.02 . . . . 0.0 109.116 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.02 -39.48 94.2 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.224 -0.923 . . . . 0.0 108.726 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -61.16 -40.36 93.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 0.0 109.679 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.1 -30.88 71.32 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.34 -42.57 87.94 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.883 -1.135 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.35 -49.09 45.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.009 -1.057 . . . . 0.0 108.592 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 ttt -55.79 -33.85 64.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.77 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -64.02 -43.88 94.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.215 -0.928 . . . . 0.0 109.354 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -74.19 -31.95 62.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.024 -1.048 . . . . 0.0 109.255 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.43 -35.28 80.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 109.511 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -99.03 27.89 4.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.369 -0.832 . . . . 0.0 109.265 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.7 t80 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 108.628 -179.837 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 CA--C 1.539 0.733 0 N-CA-C 109.418 -1.031 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.5 mp -78.86 119.8 78.56 Favored Pre-proline 0 N--CA 1.496 1.83 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.53 150.64 41.95 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 CA-C-N 119.896 0.998 . . . . 0.0 109.703 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -64.46 -43.37 94.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 0.0 109.77 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.57 -25.91 22.32 Favored Glycine 0 N--CA 1.505 3.281 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.312 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -75.1 -39.69 60.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.892 -1.358 . . . . 0.0 109.671 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -69.62 -38.51 77.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.183 -0.948 . . . . 0.0 110.042 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.68 -41.94 99.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 109.685 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -80.68 -13.32 59.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.728 -1.232 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.98 110.01 6.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.261 -0.899 . . . . 0.0 109.81 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.35 170.66 16.09 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.556 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.3 p-80 -49.49 -41.32 40.31 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.012 -1.055 . . . . 0.0 110.339 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.32 -51.1 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.123 -0.986 . . . . 0.0 109.2 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -59.5 -35.8 74.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.642 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.9 tt -55.18 -52.51 63.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -28.82 69.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.017 -1.052 . . . . 0.0 109.865 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.5 m -74.19 -34.74 63.85 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.176 -0.953 . . . . 0.0 110.355 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.38 -34.55 70.52 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.893 -1.129 . . . . 0.0 109.077 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.9 mmm -69.39 -41.64 76.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.38 -40.76 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.863 -1.148 . . . . 0.0 110.289 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.34 -47.8 19.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.794 -1.191 . . . . 0.0 111.856 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -76.56 -42.35 43.11 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.879 -1.138 . . . . 0.0 112.617 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -97.13 -27.97 14.33 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.655 -1.278 . . . . 0.0 110.625 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.19 165.8 23.89 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -70.82 -41.84 71.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.524 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -70.54 -44.55 67.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.895 -1.128 . . . . 0.0 111.042 -178.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 20.3 tptp -72.94 -37.86 66.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.78 -1.2 . . . . 0.0 109.826 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.71 73.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.061 -1.024 . . . . 0.0 109.863 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -63.51 -43.25 97.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 108.711 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.16 81.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.0 109.754 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.7 mtp -76.07 -32.62 59.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.258 -0.901 . . . . 0.0 109.545 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -68.5 -42.92 77.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 110.139 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -75.67 -48.92 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.198 -0.939 . . . . 0.0 110.19 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -59.17 -29.57 67.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.0 110.646 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.0 mt -72.05 -42.78 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 O-C-N 120.53 -1.356 . . . . 0.0 109.625 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 3.9 m-85 -56.35 -46.69 79.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.336 -1.477 . . . . 0.0 109.891 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.9 -27.95 67.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.908 -1.12 . . . . 0.0 109.655 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.186 -0.946 . . . . 0.0 110.283 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.418 HD12 ' HE ' ' A' ' 78' ' ' ARG . 1.7 pt -86.58 20.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.092 -1.005 . . . . 0.0 109.019 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 55.84 82.94 0.1 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.537 0.684 . . . . 0.0 110.574 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH2' ' OD2' ' A' ' 19' ' ' ASP . 53.0 mtt-85 -152.05 30.85 0.56 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.467 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -47.63 -28.53 2.4 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.519 . . . . 0.0 111.423 -179.309 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.08 -53.53 48.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.881 -1.137 . . . . 0.0 110.404 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -26.38 62.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.067 -1.021 . . . . 0.0 109.636 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -67.44 -36.25 80.82 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.688 -1.257 . . . . 0.0 107.997 179.346 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -60.45 -40.66 91.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 108.924 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.31 -47.25 35.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.337 -0.852 . . . . 0.0 109.329 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 88' ' ' ASP . . . -56.83 -28.61 61.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.965 . . . . 0.0 109.471 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -66.39 -27.15 67.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.016 -1.052 . . . . 0.0 109.398 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -80.5 -27.37 37.75 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 110.646 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -78.41 -3.03 41.24 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.798 -1.189 . . . . 0.0 109.393 -179.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.23 116.48 16.17 Favored Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 CA--C 1.539 0.741 0 N-CA-C 109.394 -1.041 . . . . 0.0 109.394 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -69.97 -32.62 70.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.441 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 1.6 mpt_? -55.82 -37.82 69.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.325 -0.859 . . . . 0.0 109.308 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 t -65.74 -30.81 71.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.363 -0.836 . . . . 0.0 109.135 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -73.77 -51.89 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.426 -0.796 . . . . 0.0 110.025 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.22 -36.14 81.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.75 -1.219 . . . . 0.0 109.424 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.66 83.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.103 -0.998 . . . . 0.0 108.76 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.23 -33.68 67.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.094 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 27.9 m-85 -77.33 -55.75 5.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.209 -0.932 . . . . 0.0 110.482 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.73 -26.2 68.57 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.032 -1.043 . . . . 0.0 109.215 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -81.35 -24.52 37.03 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.488 -0.757 . . . . 0.0 109.959 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.61 -3.75 56.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.938 -1.101 . . . . 0.0 110.594 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.09 165.42 16.63 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.488 -1.383 . . . . 0.0 109.272 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -65.43 149.62 49.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.433 -0.792 . . . . 0.0 109.67 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -57.2 -45.52 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.05 -33.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 108.988 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.33 -29.2 62.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.964 -1.085 . . . . 0.0 108.943 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.27 -43.39 98.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.334 -0.853 . . . . 0.0 109.087 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -67.11 -34.06 76.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.0 109.779 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.95 -27.77 66.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 0.0 109.221 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.403 ' CE2' HG21 ' A' ' 72' ' ' ILE . 34.9 t80 -71.09 -42.69 69.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.998 -1.064 . . . . 0.0 110.101 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.32 -46.42 55.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.922 -1.111 . . . . 0.0 109.899 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ttt -56.63 -36.24 69.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.137 -0.977 . . . . 0.0 109.777 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -69.53 -40.5 76.84 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.164 -0.96 . . . . 0.0 109.536 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -74.29 -33.42 63.24 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.068 -1.02 . . . . 0.0 108.911 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.4 -35.23 80.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 0.0 109.666 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -99.58 36.86 1.69 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.242 -0.912 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.7 t80 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 109.686 -0.928 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.3 mp -71.62 119.4 73.82 Favored Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.15 140.71 87.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.939 1.014 . . . . 0.0 109.669 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -64.26 -31.99 73.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.56 96.51 Favored Glycine 0 N--CA 1.504 3.217 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.131 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -75.96 -44.58 39.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.716 -1.461 . . . . 0.0 109.856 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.2 m -65.61 -47.95 73.95 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.28 -0.887 . . . . 0.0 110.983 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.0 -44.37 91.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.709 -1.245 . . . . 0.0 109.631 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -74.33 -18.44 60.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.884 -1.135 . . . . 0.0 109.748 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.05 119.5 10.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.027 -1.045 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.34 179.68 7.56 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -54.02 -45.11 71.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 110.309 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.23 -48.98 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.988 -1.07 . . . . 0.0 109.378 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -37.42 85.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 110.281 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.8 mt -55.92 -51.15 68.64 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.856 -1.153 . . . . 0.0 109.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -28.7 69.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.537 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 m -70.45 -37.44 74.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.305 -0.872 . . . . 0.0 110.37 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.18 -35.22 68.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.009 -1.057 . . . . 0.0 109.371 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.8 tpp -64.44 -42.13 96.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.231 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.45 -37.6 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.963 -1.085 . . . . 0.0 110.63 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -75.67 -51.63 12.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.82 -1.175 . . . . 0.0 111.501 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.25 -42.61 59.41 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.734 -1.229 . . . . 0.0 111.964 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.48 -27.95 15.72 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.514 -1.366 . . . . 0.0 110.548 -178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.85 155.14 11.42 Favored Glycine 0 N--CA 1.506 3.309 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -69.12 -40.1 78.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -1.171 . . . . 0.0 109.594 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 23.9 mp0 -71.52 -46.77 58.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.176 -0.952 . . . . 0.0 110.178 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.24 -37.66 81.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.031 -1.043 . . . . 0.0 109.317 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.51 68.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.965 -1.085 . . . . 0.0 109.622 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' CD1' ' A' ' 66' ' ' TRP . 36.4 m0 -61.36 -35.11 76.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 0.0 109.237 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.49 81.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.295 -0.878 . . . . 0.0 109.573 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 43.9 mmm -76.12 -32.37 59.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.142 -0.974 . . . . 0.0 108.672 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -67.13 -44.24 80.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.418 -0.801 . . . . 0.0 110.619 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 71' ' ' TRP . 35.9 m -71.9 -39.34 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 120.985 -1.072 . . . . 0.0 110.414 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.409 ' N ' HG23 ' A' ' 70' ' ' VAL . 76.7 t90 -65.29 -30.1 70.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.048 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.403 HG21 ' CE2' ' A' ' 23' ' ' PHE . 5.5 mm -72.82 -38.34 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 120.725 -1.234 . . . . 0.0 109.217 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 4.5 m-30 -56.93 -47.15 81.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.539 -1.35 . . . . 0.0 109.955 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.96 68.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.93 -1.106 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -66.69 -46.82 74.37 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.193 -0.942 . . . . 0.0 110.471 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.53 19.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.052 -1.03 . . . . 0.0 108.743 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' H ' ' C ' ' A' ' 75' ' ' ALA . 1.9 m120 55.44 66.98 1.08 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 78' ' ' ARG . 24.9 mtt-85 -142.83 39.96 1.51 Allowed 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -47.64 -29.09 2.7 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.48 -34.09 70.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.911 -1.118 . . . . 0.0 109.295 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.69 -26.11 66.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 109.711 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.64 -37.76 67.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.763 -1.211 . . . . 0.0 108.954 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.06 -47.49 84.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.097 -1.002 . . . . 0.0 109.546 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -75.14 -49.06 20.75 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.089 -1.007 . . . . 0.0 109.963 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.14 65.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 0.0 110.323 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -54.95 -27.46 43.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.345 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -84.74 -15.46 45.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.797 -1.189 . . . . 0.0 110.786 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 t70 -95.32 -12.72 25.63 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.964 -1.085 . . . . 0.0 110.634 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -59.5 116.13 15.22 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 108.355 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo . . . . . 0 CA--C 1.539 0.768 0 N-CA-C 109.317 -1.07 . . . . 0.0 109.317 179.896 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -70.63 -16.19 62.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.25 -51.08 71.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.381 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.18 -26.07 67.23 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -69.95 -48.85 56.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 110.031 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -60.85 -40.94 94.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.993 -1.067 . . . . 0.0 109.607 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.89 79.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 108.659 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -57.92 -33.53 68.88 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.454 -0.779 . . . . 0.0 109.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.74 -54.61 6.16 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.007 -1.058 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.75 -26.9 68.93 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.884 -1.135 . . . . 0.0 108.964 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -81.69 -24.54 36.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -79.36 -3.48 46.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.037 -1.04 . . . . 0.0 110.511 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 157.12 20.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.572 -1.33 . . . . 0.0 109.34 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 9.2 mp0 -67.62 156.91 35.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.485 -0.76 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.77 -40.07 82.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 19' ' ' ASP . 14.0 p -61.07 -40.52 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.066 -1.021 . . . . 0.0 109.679 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' VAL . 8.0 t70 -72.96 -29.36 63.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.029 -1.044 . . . . 0.0 109.506 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.01 -36.75 77.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.144 -0.972 . . . . 0.0 109.335 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.31 -39.22 59.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.163 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.0 -28.3 66.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.077 -1.014 . . . . 0.0 109.431 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.38 -47.85 38.76 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -70.2 -45.79 65.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.893 -1.129 . . . . 0.0 109.113 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.3 ttt -52.56 -33.76 47.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.882 . . . . 0.0 109.604 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD1' ' C ' ' A' ' 26' ' ' HIS . 2.6 t-80 -66.9 -42.47 85.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.364 -0.835 . . . . 0.0 109.207 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.91 -32.01 63.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.062 -1.024 . . . . 0.0 109.607 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.39 -14.21 60.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.033 . . . . 0.0 109.966 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.55 48.36 1.64 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.279 -0.888 . . . . 0.0 109.89 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.0 108.431 179.328 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 CA--C 1.538 0.716 0 N-CA-C 109.692 -0.926 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.04 120.19 80.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -53.0 143.86 48.07 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 119.951 1.018 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -64.74 -45.77 85.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.189 -0.944 . . . . 0.0 109.85 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.91 -24.74 65.08 Favored Glycine 0 N--CA 1.504 3.222 0 C-N-CA 119.651 -1.262 . . . . 0.0 109.99 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -72.92 -52.07 16.09 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.037 -1.273 . . . . 0.0 110.095 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 93.4 m -76.12 -51.23 12.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.058 -1.026 . . . . 0.0 110.847 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.29 -44.08 68.0 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.841 -1.162 . . . . 0.0 110.586 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.13 -9.84 59.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.582 -1.323 . . . . 0.0 109.521 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 44' ' ' THR . . . -78.18 128.09 33.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.22 171.31 15.24 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -51.81 -49.88 61.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.47 -49.06 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 120.9 -1.125 . . . . 0.0 108.969 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.14 -34.51 73.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.245 -0.909 . . . . 0.0 109.843 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.14 -51.18 65.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.897 -1.127 . . . . 0.0 109.037 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.75 68.97 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.164 -0.96 . . . . 0.0 110.103 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 m -76.9 -35.62 57.26 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.945 -1.097 . . . . 0.0 110.704 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.13 -34.06 68.27 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.814 -1.179 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.4 mtp -68.96 -42.17 77.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.402 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.7 -39.51 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.99 -39.98 48.42 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.892 -1.13 . . . . 0.0 111.486 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -81.95 -42.4 19.49 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.83 -1.169 . . . . 0.0 112.326 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.96 -27.14 15.81 Favored 'General case' 0 N--CA 1.51 2.542 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.82 169.19 28.57 Favored Glycine 0 N--CA 1.502 3.093 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -71.07 -35.6 71.94 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.404 -1.057 . . . . 0.0 110.867 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.72 -52.76 16.14 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.027 -1.046 . . . . 0.0 110.926 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -73.23 -38.79 65.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.864 -1.147 . . . . 0.0 110.916 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.46 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.866 -1.146 . . . . 0.0 110.971 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.48 -35.08 76.66 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.941 -1.1 . . . . 0.0 108.786 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.26 81.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.081 -1.012 . . . . 0.0 108.966 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.6 mmm -76.03 -42.57 47.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.371 -0.831 . . . . 0.0 109.113 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -56.63 -45.69 81.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.023 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.41 -45.28 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.154 -0.966 . . . . 0.0 110.238 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -60.98 -31.05 70.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.03 -1.044 . . . . 0.0 110.486 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.2 mt -72.87 -37.28 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.369 0 O-C-N 120.585 -1.322 . . . . 0.0 109.463 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-30 -56.85 -46.92 81.42 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.488 -1.382 . . . . 0.0 109.668 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.46 -27.98 67.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.97 -1.081 . . . . 0.0 109.868 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.33 -47.1 77.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.145 -0.972 . . . . 0.0 109.967 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.5 19.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.015 -1.053 . . . . 0.0 108.193 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 t30 56.67 11.37 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.541 -0.724 . . . . 0.0 109.899 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.95 51.83 0.52 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.113 -0.992 . . . . 0.0 108.985 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -62.47 -29.22 70.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.23 -48.66 80.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.928 -1.107 . . . . 0.0 110.159 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.95 -25.91 61.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 110.05 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -74.41 -37.92 63.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.25 -43.88 92.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -74.89 -47.16 31.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.288 -0.883 . . . . 0.0 109.52 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.79 68.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.621 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.6 -27.3 67.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -82.41 -31.86 29.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.789 -1.194 . . . . 0.0 110.452 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -98.99 -10.05 23.18 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.14 -0.975 . . . . 0.0 110.462 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -76.66 124.46 87.76 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.747 -1.221 . . . . 0.0 108.282 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 CA--C 1.54 0.784 0 N-CA-C 109.19 -1.119 . . . . 0.0 109.19 179.787 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.0 m -64.47 -20.62 66.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.887 . . . . 0.0 109.162 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -68.57 -50.83 48.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.603 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -72.81 -33.89 66.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.23 -0.919 . . . . 0.0 109.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.88 -45.05 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.258 -0.901 . . . . 0.0 110.286 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -72.86 -37.16 67.46 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.947 -1.095 . . . . 0.0 109.338 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.18 89.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.988 -1.07 . . . . 0.0 108.946 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -63.14 -32.6 74.03 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.467 -0.771 . . . . 0.0 109.2 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -54.61 40.09 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 109.229 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.4 -25.21 59.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.101 -0.999 . . . . 0.0 108.99 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 15.5 mm-40 -80.75 -21.49 41.04 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.234 -0.916 . . . . 0.0 108.933 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -69.98 0.27 6.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.0 109.764 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 mt -89.6 167.32 13.04 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.04 -1.038 . . . . 0.0 109.371 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.46 152.63 40.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.305 -0.872 . . . . 0.0 109.943 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.0 -43.72 73.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.5 -32.12 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 108.803 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.42 -29.54 62.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.028 -1.045 . . . . 0.0 109.817 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.04 -38.06 89.66 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.944 -1.098 . . . . 0.0 108.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.64 -41.1 55.02 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.179 -0.951 . . . . 0.0 110.833 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 97.0 mttt -75.29 -31.02 60.57 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.886 -1.134 . . . . 0.0 110.533 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -69.88 -47.58 62.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.753 -1.217 . . . . 0.0 109.706 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -63.73 -48.12 78.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.016 -1.052 . . . . 0.0 109.949 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.398 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -62.03 -33.08 73.7 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.942 -1.099 . . . . 0.0 109.938 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.46 -32.32 71.29 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.929 -1.107 . . . . 0.0 109.973 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 28' ' ' GLU . 4.1 mp0 -82.91 -17.24 44.38 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.916 -1.115 . . . . 0.0 109.59 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.97 -16.75 63.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.656 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 . . . . . 0 N--CA 1.496 1.872 0 O-C-N 120.801 -1.187 . . . . 0.0 109.628 -179.537 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 C--O 1.215 -0.664 0 N-CA-C 109.582 -0.968 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.4 mm? -74.08 119.11 74.64 Favored Pre-proline 0 N--CA 1.49 1.541 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.92 139.78 79.03 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 CA-C-N 119.945 1.016 . . . . 0.0 109.679 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -61.56 -50.47 72.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.213 -0.929 . . . . 0.0 109.698 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.42 -26.34 44.27 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -75.05 -40.0 60.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.29 . . . . 0.0 109.659 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -68.45 -44.29 75.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 0.0 109.907 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.28 -40.35 81.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.079 -1.013 . . . . 0.0 109.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -74.02 -17.66 60.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.825 -1.172 . . . . 0.0 109.314 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.89 132.82 38.11 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.189 -0.945 . . . . 0.0 109.525 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.35 173.69 12.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' OE2' ' A' ' 13' ' ' GLU . 32.7 m170 -58.29 -49.44 77.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.84 -46.12 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.054 -1.029 . . . . 0.0 108.497 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.47 -36.81 76.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.299 -0.876 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.73 -51.43 63.33 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.086 . . . . 0.0 109.022 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.49 65.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 0.0 109.863 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.5 m -72.46 -40.09 67.26 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.011 -1.056 . . . . 0.0 110.99 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.81 -36.54 73.02 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.67 -1.269 . . . . 0.0 109.147 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 68.0 mmm -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.347 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -78.26 -35.6 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.936 -1.103 . . . . 0.0 110.348 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -76.78 -52.02 10.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.709 -1.244 . . . . 0.0 111.846 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.95 -42.26 63.59 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.69 -1.256 . . . . 0.0 112.222 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.85 -28.05 14.9 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.549 -1.344 . . . . 0.0 111.203 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 165.97 29.05 Favored Glycine 0 N--CA 1.505 3.265 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.97 -33.23 70.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -1.191 . . . . 0.0 110.601 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -72.1 -53.27 13.28 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.003 -1.061 . . . . 0.0 110.505 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -71.45 -39.1 71.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.954 -1.091 . . . . 0.0 110.147 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.35 68.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.883 -1.135 . . . . 0.0 109.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -58.98 -45.91 89.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.34 75.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 109.837 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 mmm -75.44 -32.63 60.74 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.162 -0.961 . . . . 0.0 109.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.48 -45.99 64.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.225 -0.922 . . . . 0.0 110.43 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 71' ' ' TRP . 17.3 m -75.85 -47.02 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 120.999 -1.063 . . . . 0.0 110.673 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.548 ' N ' HG23 ' A' ' 70' ' ' VAL . 74.8 t90 -63.56 -29.4 70.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.034 -1.041 . . . . 0.0 110.239 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.25 -40.12 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.691 -1.256 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-85 -56.66 -46.56 80.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.451 -1.406 . . . . 0.0 109.763 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -27.71 58.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.849 -1.157 . . . . 0.0 109.495 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -70.82 -42.38 70.32 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 110.39 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 78' ' ' ARG . 1.1 mt -73.26 19.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.977 -1.077 . . . . 0.0 109.353 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 75' ' ' ALA . 70.0 m-20 59.07 1.63 0.22 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 76' ' ' ILE . 38.4 mtt-85 -81.65 57.92 3.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.034 -1.041 . . . . 0.0 108.522 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -56.7 -29.44 62.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.413 -0.805 . . . . 0.0 110.3 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.3 -41.72 69.26 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.981 -1.075 . . . . 0.0 109.914 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -65.75 -26.13 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.317 -0.864 . . . . 0.0 109.291 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -67.76 -33.54 75.05 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.678 -1.263 . . . . 0.0 109.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.04 -43.2 68.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.41 62.64 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.093 -1.004 . . . . 0.0 108.899 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.09 63.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.24 -0.912 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.37 -27.46 64.34 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.223 -0.923 . . . . 0.0 110.023 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -84.41 -28.19 27.07 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.861 -1.15 . . . . 0.0 110.484 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.2 -12.31 50.11 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.952 -1.093 . . . . 0.0 110.145 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -55.12 109.46 1.61 Allowed Pre-proline 0 N--CA 1.505 2.28 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.248 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 CA--C 1.538 0.689 0 N-CA-C 109.651 -0.942 . . . . 0.0 109.651 -179.661 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -63.44 -31.37 72.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.905 . . . . 0.0 109.388 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.469 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 70.4 ttt180 -52.62 -37.35 58.22 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.867 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -71.87 -29.41 64.33 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.358 -0.839 . . . . 0.0 109.709 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.23 -52.93 14.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.027 -1.046 . . . . 0.0 109.355 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 57' ' ' ILE . 34.2 mt -53.72 -33.1 54.53 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.899 -1.125 . . . . 0.0 109.653 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.34 72.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.646 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.97 -34.33 62.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 110.476 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -77.36 -50.77 12.06 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.825 -1.172 . . . . 0.0 109.633 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.83 -26.45 65.81 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.135 -0.978 . . . . 0.0 108.661 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.19 -27.7 35.24 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.225 -0.922 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.25 -1.45 4.53 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.168 -0.957 . . . . 0.0 109.605 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.12 155.45 25.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.206 -0.934 . . . . 0.0 108.758 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.48 161.37 27.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.96 -39.77 75.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.15 -39.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.835 -1.166 . . . . 0.0 110.005 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 7.9 p30 -71.96 -28.14 63.24 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.631 -1.293 . . . . 0.0 108.731 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.507 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 34.3 tp -56.08 -50.98 69.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.297 -0.877 . . . . 0.0 109.114 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -60.62 -40.04 90.41 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.537 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.555 ' NZ ' ' NE2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -67.31 -27.12 66.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.246 -0.909 . . . . 0.0 109.872 -179.425 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.428 ' CE2' HG21 ' A' ' 72' ' ' ILE . 32.4 t80 -66.63 -43.11 85.59 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.958 -1.089 . . . . 0.0 110.287 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.578 ' HZ1' HD22 ' A' ' 52' ' ' LEU . 3.8 mptp? -65.64 -46.2 80.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.958 -1.089 . . . . 0.0 109.149 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -57.29 -34.3 68.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.898 . . . . 0.0 109.86 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.555 ' NE2' ' NZ ' ' A' ' 22' ' ' LYS . 46.7 m-70 -69.54 -43.01 73.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.72 -36.61 78.65 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.842 -1.161 . . . . 0.0 108.907 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -73.76 -27.44 61.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.095 -1.003 . . . . 0.0 109.341 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.52 8.98 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.338 -0.851 . . . . 0.0 109.996 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 t80 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.031 -1.043 . . . . 0.0 108.308 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 CA--C 1.538 0.699 0 N-CA-C 109.635 -0.948 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.0 mp -71.76 119.31 73.46 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 138.33 81.91 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.903 1.001 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.27 -33.75 76.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 109.774 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 -41.58 97.5 Favored Glycine 0 N--CA 1.504 3.219 0 C-N-CA 119.6 -1.286 . . . . 0.0 109.971 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -75.7 -33.94 60.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.795 -1.415 . . . . 0.0 109.67 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.0 m -70.2 -43.04 71.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.257 -0.902 . . . . 0.0 110.424 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -42.53 66.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.823 -1.173 . . . . 0.0 109.698 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -70.68 -17.01 62.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.884 -1.135 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.06 130.64 43.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 109.431 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.19 170.5 16.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.331 -0.856 . . . . 0.0 108.763 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -55.06 -37.47 66.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.35 -52.4 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.122 -0.986 . . . . 0.0 108.806 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -35.18 72.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 0.0 109.687 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.578 HD22 ' HZ1' ' A' ' 24' ' ' LYS . 7.4 tp -59.03 -51.3 70.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.018 -1.051 . . . . 0.0 109.606 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.176 -0.953 . . . . 0.0 109.783 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.469 ' OG1' ' NH2' ' A' ' 5' ' ' ARG . 88.2 m -70.48 -32.3 69.76 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.092 -1.005 . . . . 0.0 109.447 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.29 -34.23 70.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.035 -1.041 . . . . 0.0 108.555 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mmm -71.06 -43.71 67.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 109.612 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 8' ' ' LEU . 65.6 mt -77.87 -32.87 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 120.793 -1.192 . . . . 0.0 110.295 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.69 -52.16 10.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.706 -1.246 . . . . 0.0 112.094 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -81.72 -42.24 20.14 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.632 -1.293 . . . . 0.0 112.563 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -93.21 -27.68 16.73 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.388 -1.445 . . . . 0.0 110.748 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.74 169.67 32.59 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 8.3 tp10 -71.05 -34.77 71.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.171 -1.194 . . . . 0.0 110.423 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.37 -53.01 21.61 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.076 -1.015 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -73.44 -36.62 65.94 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.86 -1.15 . . . . 0.0 110.193 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.47 36.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.789 -1.195 . . . . 0.0 109.825 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.458 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 40.7 m0 -60.15 -38.09 82.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.29 83.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -0.935 . . . . 0.0 109.355 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 13.5 tpp -74.97 -32.22 61.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.267 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.18 69.59 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.836 . . . . 0.0 110.804 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 71' ' ' TRP . 25.4 m -75.68 -43.38 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 120.953 -1.092 . . . . 0.0 110.75 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.49 ' N ' HG23 ' A' ' 70' ' ' VAL . 82.3 t90 -63.38 -30.19 71.37 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.938 -1.101 . . . . 0.0 110.229 -178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 23' ' ' PHE . 34.7 mt -73.1 -41.01 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.693 -1.254 . . . . 0.0 109.758 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -56.04 -46.81 78.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.492 -1.38 . . . . 0.0 109.828 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.71 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.877 -1.139 . . . . 0.0 109.741 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.08 -47.14 53.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.093 -1.004 . . . . 0.0 110.613 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 pt -84.9 20.37 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.976 -1.077 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 56.94 87.71 0.06 Allowed 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.684 0.754 . . . . 0.0 109.601 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -168.26 32.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -47.41 -27.85 1.86 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.892 -0.505 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.3 -24.82 8.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.759 -1.213 . . . . 0.0 109.905 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -78.08 -26.3 48.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.299 -0.876 . . . . 0.0 108.793 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -69.84 -34.04 73.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.707 -1.246 . . . . 0.0 108.684 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.92 -41.43 67.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.481 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.56 -52.79 10.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 109.798 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.4 -38.94 66.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -70.35 -27.54 64.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.214 -0.929 . . . . 0.0 109.544 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -78.77 -29.3 44.99 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.959 -1.088 . . . . 0.0 109.559 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.83 -2.86 52.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.236 -0.915 . . . . 0.0 109.585 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.99 114.33 7.35 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.112 -0.993 . . . . 0.0 108.827 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 CA-C-N 119.769 0.953 . . . . 0.0 109.626 -179.679 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.42 97.46 0.69 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.265 -0.897 . . . . 0.0 109.419 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 m -70.81 131.94 44.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.216 -0.927 . . . . 0.0 109.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -74.0 -23.57 59.46 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.23 -0.919 . . . . 0.0 109.189 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.66 -40.82 72.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.227 -0.92 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.4 m -69.94 -27.81 65.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.809 . . . . 0.0 109.42 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -70.95 -52.03 22.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.92 . . . . 0.0 110.056 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.91 -33.31 70.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.93 -1.106 . . . . 0.0 109.549 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.05 84.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.149 -0.97 . . . . 0.0 109.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.79 -33.25 75.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 109.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -72.73 -53.08 12.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.038 -1.039 . . . . 0.0 109.864 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.28 -27.3 67.16 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.88 -1.137 . . . . 0.0 108.739 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -81.93 -35.16 29.41 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.188 -0.945 . . . . 0.0 109.48 179.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.88 -2.43 15.03 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.015 -1.053 . . . . 0.0 110.42 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.38 161.62 20.3 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.743 -1.223 . . . . 0.0 108.352 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.26 155.45 35.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.282 -0.887 . . . . 0.0 109.915 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -62.79 -47.36 83.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.841 . . . . 0.0 109.864 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.41 -32.27 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.105 -0.997 . . . . 0.0 108.892 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -72.56 -29.08 63.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.012 -1.055 . . . . 0.0 108.547 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.42 -46.0 91.96 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.16 -32.71 74.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.431 -0.793 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.74 -28.02 62.38 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.999 -1.063 . . . . 0.0 109.557 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -68.89 -41.38 78.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.98 -1.075 . . . . 0.0 109.785 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.3 -47.4 50.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.108 -0.995 . . . . 0.0 109.932 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.3 ttt -58.61 -39.34 80.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 109.707 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -70.01 -31.42 69.07 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.168 -0.958 . . . . 0.0 109.525 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -72.12 -48.45 43.63 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.229 -0.919 . . . . 0.0 109.465 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.86 -31.75 72.88 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.219 -0.926 . . . . 0.0 109.584 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -89.78 22.47 3.09 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.168 -0.958 . . . . 0.0 109.737 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 77.0 t80 -63.84 118.96 50.42 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.13 -0.981 . . . . 0.0 108.878 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 9.3 Cg_endo -68.76 164.67 32.43 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 N-CA-C 109.227 -1.105 . . . . 0.0 109.227 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -65.17 142.87 75.65 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 121.006 1.138 . . . . 0.0 109.302 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -111.43 -44.89 3.46 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -170.58 74.62 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.52 13.23 58.22 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.87 150.53 23.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 0.0 109.559 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' ILE . 14.3 tt -83.79 129.76 58.06 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.316 -0.865 . . . . 0.0 108.745 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -67.01 137.89 46.0 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 N-CA-C 109.135 -1.14 . . . . 0.0 109.135 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.5 mp -73.25 119.4 75.55 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.92 133.57 58.85 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 CA-C-N 119.93 1.011 . . . . 0.0 109.611 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -64.85 -46.15 83.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.71 -31.85 46.29 Favored Glycine 0 N--CA 1.505 3.269 0 C-N-CA 119.82 -1.181 . . . . 0.0 110.206 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' N ' ' OE1' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -75.17 -51.72 12.69 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.866 -1.373 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.6 m -63.8 -54.32 36.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.15 -0.969 . . . . 0.0 110.082 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -57.35 -39.88 76.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.049 -1.032 . . . . 0.0 109.636 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -76.71 -18.07 58.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.795 -1.191 . . . . 0.0 109.494 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.53 131.52 39.02 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.06 -1.025 . . . . 0.0 109.607 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.458 ' OD2' ' CD2' ' A' ' 49' ' ' HIS . 38.9 t70 -80.03 179.67 7.49 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.336 -0.853 . . . . 0.0 109.1 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.672 ' H ' ' CD2' ' A' ' 49' ' ' HIS . 2.3 p80 -59.82 -46.62 88.66 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.082 -1.011 . . . . 0.0 109.193 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.62 -51.26 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.962 -1.086 . . . . 0.0 108.804 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -57.57 -37.08 72.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 109.471 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 tp -54.1 -44.46 71.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.988 -1.07 . . . . 0.0 109.294 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.62 70.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.177 -0.952 . . . . 0.0 109.561 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -69.54 -37.29 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 110.38 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.3 mp -71.24 -35.21 71.36 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.779 -1.201 . . . . 0.0 108.865 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.6 mtp -71.39 -42.76 67.98 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.202 -0.936 . . . . 0.0 109.737 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.1 mt -77.72 -37.16 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 120.78 -1.2 . . . . 0.0 110.01 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.14 -47.74 19.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.881 -1.137 . . . . 0.0 111.834 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -84.15 -42.61 15.83 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.77 -1.206 . . . . 0.0 112.844 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -94.87 -27.23 15.83 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.563 -1.336 . . . . 0.0 110.603 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.69 164.75 29.26 Favored Glycine 0 N--CA 1.505 3.24 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' OE1' ' NE1' ' A' ' 66' ' ' TRP . 7.4 tp10 -71.13 -33.76 70.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.328 -1.101 . . . . 0.0 110.07 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.21 -52.88 16.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.123 -0.985 . . . . 0.0 110.301 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -71.66 -39.2 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.996 -1.065 . . . . 0.0 110.485 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.24 75.51 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.797 -1.19 . . . . 0.0 109.856 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.457 ' NE1' ' OE1' ' A' ' 62' ' ' GLU . 30.3 m0 -61.4 -40.3 93.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.149 -0.969 . . . . 0.0 109.084 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -38.05 75.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.921 . . . . 0.0 109.633 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.0 mmm -76.28 -32.5 58.84 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.214 -0.929 . . . . 0.0 109.171 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.95 76.01 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.298 -0.876 . . . . 0.0 110.345 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 71' ' ' TRP . 15.0 p -75.69 -40.24 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.06 -1.025 . . . . 0.0 110.494 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' VAL . 79.8 t90 -65.71 -30.06 70.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.047 -1.033 . . . . 0.0 110.218 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.95 -40.41 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 120.618 -1.301 . . . . 0.0 109.523 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -56.86 -47.03 81.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.397 -1.44 . . . . 0.0 109.709 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.34 -27.99 66.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.957 -1.089 . . . . 0.0 109.679 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.66 -46.79 68.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.121 -0.987 . . . . 0.0 110.281 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.4 pt -83.84 20.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.052 -1.03 . . . . 0.0 109.623 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.643 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER 54.95 74.48 0.36 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.462 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.61 38.13 2.03 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -47.06 -36.4 8.06 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.734 -0.604 . . . . 0.0 110.999 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -58.69 -33.37 70.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.824 -1.172 . . . . 0.0 109.269 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.9 -26.03 64.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.828 . . . . 0.0 109.846 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.2 t80 -72.88 -35.49 67.17 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 108.847 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -64.27 -44.97 90.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.091 -1.006 . . . . 0.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -75.0 -43.29 54.73 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.121 -0.987 . . . . 0.0 109.923 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.85 72.09 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.153 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -66.4 -27.35 67.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.039 -1.038 . . . . 0.0 110.076 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -86.31 -28.21 23.85 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.794 -1.191 . . . . 0.0 110.61 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -93.93 -10.43 33.8 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.962 -1.086 . . . . 0.0 110.333 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.456 ' OE2' ' CE3' ' A' ' 66' ' ' TRP . 3.0 mm-40 -72.47 118.07 64.44 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 120.83 -1.169 . . . . 0.0 108.207 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -60.15 157.01 36.68 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 N-CA-C 109.487 -1.005 . . . . 0.0 109.487 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 118.001 -1.0 . . . . 0.0 108.946 179.82 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.24 0.543 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.55 97.48 0.68 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.268 -0.895 . . . . 0.0 109.411 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 m -70.07 131.86 44.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.2 -0.938 . . . . 0.0 109.171 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 m -83.09 -28.02 29.81 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 109.45 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.266 -0.896 . . . . 0.0 109.668 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 7' ' ' LYS . 30.1 p -63.21 -38.36 90.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.397 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 57.6 mttp -60.62 -50.14 74.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.161 -0.962 . . . . 0.0 109.826 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.17 -33.13 51.21 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.95 -1.094 . . . . 0.0 109.829 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.62 84.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 109.592 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -59.1 -34.04 71.54 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.152 -0.968 . . . . 0.0 109.931 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 47.6 m-85 -71.87 -51.74 20.82 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.782 -1.199 . . . . 0.0 110.049 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.0 -26.49 65.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.008 -1.058 . . . . 0.0 109.188 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -81.69 -31.36 32.21 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.236 -0.915 . . . . 0.0 109.958 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.06 -2.68 4.33 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.014 -1.053 . . . . 0.0 109.821 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -93.3 160.96 14.59 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.988 -1.07 . . . . 0.0 109.103 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 11.4 mp0 -65.54 156.12 33.58 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.874 . . . . 0.0 109.436 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -57.74 -47.62 81.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.877 . . . . 0.0 109.712 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.07 -38.18 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.28 -29.4 69.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.064 -1.023 . . . . 0.0 108.515 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.07 -33.32 75.53 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' NZ ' ' SD ' ' A' ' 25' ' ' MET . 55.7 tttm -70.96 -35.37 72.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.532 -0.73 . . . . 0.0 110.234 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.12 -28.38 61.31 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 72' ' ' ILE . 25.8 t80 -70.11 -42.14 73.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.911 -1.118 . . . . 0.0 109.696 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -68.29 -41.82 80.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.041 -1.037 . . . . 0.0 109.771 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.454 ' SD ' ' NZ ' ' A' ' 21' ' ' LYS . 15.1 mtt -64.6 -33.79 76.74 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.195 -0.94 . . . . 0.0 108.591 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.34 -38.59 84.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.218 -0.926 . . . . 0.0 109.317 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.93 -37.62 84.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.092 -1.005 . . . . 0.0 109.365 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -71.66 -30.8 66.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 109.824 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.25 32.21 0.28 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.14 -0.975 . . . . 0.0 109.887 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 141.56 70.55 Favored Pre-proline 0 N--CA 1.503 2.18 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -61.25 166.06 11.68 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 109.216 -1.109 . . . . 0.0 109.216 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.95 133.02 45.06 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.001 1.134 . . . . 0.0 109.239 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -106.81 -35.36 6.98 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.567 -0.708 . . . . 0.0 109.431 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttm 55.24 55.44 7.52 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.324 -0.86 . . . . 0.0 109.247 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.68 -68.63 0.18 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.066 -1.613 . . . . 0.0 109.066 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -60.0 150.97 27.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.315 -1.109 . . . . 0.0 109.042 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 37' ' ' ILE . 16.8 tt -83.17 122.89 77.72 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.163 -0.961 . . . . 0.0 108.866 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -66.59 147.14 81.44 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.2 mm? -71.72 119.26 73.13 Favored Pre-proline 0 N--CA 1.491 1.612 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.07 133.58 58.76 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 CA-C-N 119.977 1.027 . . . . 0.0 109.627 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -64.66 -42.84 95.12 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.333 -0.855 . . . . 0.0 109.519 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.08 -35.88 91.46 Favored Glycine 0 N--CA 1.503 3.123 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -75.62 -39.03 58.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.924 -1.339 . . . . 0.0 109.981 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 m -70.69 -46.37 63.28 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.478 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 2.1 pp20? -65.91 -40.36 91.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.866 -1.146 . . . . 0.0 109.508 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.7 tttp -72.04 -16.62 62.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.897 -1.127 . . . . 0.0 109.542 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.47 137.16 55.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.146 -0.971 . . . . 0.0 109.62 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 36.8 t70 -80.59 179.32 7.81 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.348 -0.845 . . . . 0.0 109.791 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.441 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.1 m80 -63.47 -49.11 74.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.915 . . . . 0.0 109.964 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.2 -35.13 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.979 -1.075 . . . . 0.0 108.753 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.58 -39.45 73.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.226 -0.922 . . . . 0.0 109.841 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.48 -47.52 76.01 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.827 -1.171 . . . . 0.0 109.237 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.81 69.94 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.035 -1.041 . . . . 0.0 109.5 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 86.2 m -72.15 -32.59 67.04 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 109.916 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.39 -34.39 70.36 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.917 -1.114 . . . . 0.0 108.684 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.4 mtp -67.92 -40.39 83.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.398 -0.814 . . . . 0.0 109.357 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.72 -34.87 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.831 -1.168 . . . . 0.0 109.925 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.24 -52.11 9.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.78 -1.2 . . . . 0.0 111.927 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -81.79 -42.4 19.77 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.737 -1.227 . . . . 0.0 112.768 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -93.23 -27.89 16.59 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 120.365 -1.459 . . . . 0.0 110.566 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.27 167.35 32.78 Favored Glycine 0 N--CA 1.503 3.152 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -70.86 -31.09 67.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.382 -1.07 . . . . 0.0 110.366 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -71.14 -52.83 17.04 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.113 -0.992 . . . . 0.0 110.506 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -73.5 -38.32 65.41 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.831 -1.168 . . . . 0.0 110.173 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.19 -51.72 61.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 110.202 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -61.51 -44.08 97.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.071 -1.018 . . . . 0.0 108.929 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.95 74.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.675 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtp -76.2 -32.57 59.05 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.257 -0.902 . . . . 0.0 109.195 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.25 -44.26 76.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 71' ' ' TRP . 19.5 m -75.87 -41.78 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.064 -1.023 . . . . 0.0 110.407 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.469 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.5 t90 -65.75 -29.65 70.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.0 110.378 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.429 HG21 ' CE2' ' A' ' 23' ' ' PHE . 36.8 mt -72.46 -42.21 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 120.681 -1.262 . . . . 0.0 109.664 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -56.35 -46.83 79.81 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.388 -1.445 . . . . 0.0 109.54 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.82 67.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.871 -1.143 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.11 57.26 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.191 -0.943 . . . . 0.0 110.6 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.497 HD12 ' HE ' ' A' ' 78' ' ' ARG . 20.5 pt -83.64 19.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 120.876 -1.14 . . . . 0.0 109.584 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.99 71.46 0.51 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.665 -0.647 . . . . 0.0 110.496 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' HE ' HD12 ' A' ' 76' ' ' ILE . 16.7 mtt-85 -153.56 38.23 0.48 Allowed 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.15 -28.99 43.64 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 110.153 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -56.41 -30.16 62.44 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.859 -1.15 . . . . 0.0 109.356 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.38 -26.05 63.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.302 -0.873 . . . . 0.0 109.59 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -73.05 -37.68 66.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.804 -1.185 . . . . 0.0 108.684 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -44.67 95.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.12 -0.988 . . . . 0.0 109.188 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -74.92 -45.54 41.86 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.105 -0.997 . . . . 0.0 109.71 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.78 -30.24 43.78 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.235 -0.916 . . . . 0.0 109.529 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -70.39 -27.3 64.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.391 -0.818 . . . . 0.0 109.141 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 87' ' ' ARG . 3.9 ttt-85 -75.89 -27.73 57.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.913 -1.117 . . . . 0.0 109.635 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 20.8 t70 -91.64 -2.74 56.95 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.207 -0.933 . . . . 0.0 109.611 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -55.58 114.04 6.65 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.256 -0.903 . . . . 0.0 109.145 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.6 154.16 61.79 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 N-CA-C 109.58 -0.969 . . . . 0.0 109.58 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.275 -179.807 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ptp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.48 137.5 4.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.268 -0.895 . . . . 0.0 109.39 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 m -69.95 131.96 45.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.356 -0.84 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.76 -42.73 57.68 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.203 -0.935 . . . . 0.0 108.555 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -54.75 -34.68 62.87 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.601 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.07 -24.66 51.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.34 -0.85 . . . . 0.0 109.484 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.95 -48.96 26.88 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.346 -0.846 . . . . 0.0 110.306 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 8' ' ' LEU . 11.2 mp -71.05 -33.39 70.23 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.937 -1.102 . . . . 0.0 109.463 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.84 79.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.98 -1.075 . . . . 0.0 109.3 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -68.72 -33.41 73.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.307 -0.871 . . . . 0.0 109.109 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -66.45 -55.3 16.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.546 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.68 -25.24 64.59 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.994 -1.066 . . . . 0.0 109.21 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -81.99 -32.32 30.69 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.232 -0.917 . . . . 0.0 110.804 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 15' ' ' LEU . 37.7 p30 -66.95 -19.31 65.7 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.812 -1.18 . . . . 0.0 110.793 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 73.9 mt -73.9 164.35 26.75 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.929 -1.107 . . . . 0.0 109.42 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.3 mp0 -65.47 154.67 37.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.389 -0.819 . . . . 0.0 110.094 -178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -54.92 -45.58 74.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.37 -0.831 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.66 -32.58 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.471 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 15.5 t70 -69.69 -31.69 69.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.073 -1.017 . . . . 0.0 109.921 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.87 -30.64 71.7 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.844 -1.16 . . . . 0.0 107.878 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -73.65 -48.86 29.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.504 -0.748 . . . . 0.0 110.758 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -75.65 -33.84 60.46 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.791 -1.193 . . . . 0.0 110.692 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -68.84 -41.36 78.61 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.73 -1.231 . . . . 0.0 109.795 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -72.21 -41.4 66.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.059 -1.025 . . . . 0.0 109.517 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.426 ' SD ' ' OD1' ' A' ' 29' ' ' ASP . 1.3 tmt? -67.69 -34.11 76.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 109.606 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.03 -32.64 74.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.125 -0.985 . . . . 0.0 109.561 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.15 -44.55 75.77 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.094 -1.003 . . . . 0.0 108.652 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -65.78 -32.86 74.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' SD ' ' A' ' 25' ' ' MET . 2.4 m-20 -91.71 19.92 6.0 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.155 -0.965 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 71.9 t80 -72.36 119.18 73.42 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 120.983 -1.073 . . . . 0.0 108.705 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 9.4 Cg_endo -68.46 164.13 33.97 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -66.92 139.55 51.93 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 121.144 1.229 . . . . 0.0 109.471 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -111.06 -44.74 3.54 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -148.89 57.48 1.03 Allowed 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.83 17.43 65.13 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -57.92 150.72 19.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.332 -1.099 . . . . 0.0 109.722 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -85.08 113.99 53.35 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.02 144.79 99.59 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 CA-C-N 120.066 1.059 . . . . 0.0 109.775 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.8 mp -71.73 120.26 78.99 Favored Pre-proline 0 N--CA 1.492 1.66 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -52.67 133.88 51.58 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 CA-C-N 119.907 1.003 . . . . 0.0 110.066 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.58 -49.21 72.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.423 -0.798 . . . . 0.0 110.052 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.54 -37.56 56.44 Favored Glycine 0 N--CA 1.506 3.306 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.349 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -75.19 -36.14 61.48 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.809 -1.407 . . . . 0.0 109.885 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -69.68 -47.05 64.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.057 -1.027 . . . . 0.0 110.052 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.22 -40.03 88.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.972 -1.08 . . . . 0.0 109.416 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -75.05 -14.75 60.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.868 -1.145 . . . . 0.0 109.392 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.12 132.82 43.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.27 168.88 18.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.303 -0.873 . . . . 0.0 108.907 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -53.96 -49.32 69.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.98 -1.075 . . . . 0.0 110.086 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.53 -46.1 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.023 -1.048 . . . . 0.0 108.743 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.2 -36.08 78.92 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.208 -0.933 . . . . 0.0 109.7 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.18 -49.02 70.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.834 -1.166 . . . . 0.0 108.881 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.67 -28.71 68.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.66 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.9 m -70.19 -35.25 73.82 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.027 -1.046 . . . . 0.0 110.314 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.81 -34.9 72.22 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.745 -1.222 . . . . 0.0 108.375 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.6 mtp -69.21 -43.22 74.56 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.252 -0.905 . . . . 0.0 109.696 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.11 -39.1 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 120.862 -1.149 . . . . 0.0 110.241 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.17 -42.69 36.68 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.74 -1.225 . . . . 0.0 111.615 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -80.98 -42.24 21.53 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.897 -1.127 . . . . 0.0 112.397 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 20.6 m120 -99.23 -27.08 13.96 Favored 'General case' 0 N--CA 1.511 2.579 0 O-C-N 120.748 -1.22 . . . . 0.0 110.864 -178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.52 164.77 29.46 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.68 -31.03 67.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.253 -1.145 . . . . 0.0 110.033 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 63' ' ' GLU . 10.5 mp0 -69.88 -52.53 24.04 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.482 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 60' ' ' ASN . 32.0 mtmm -73.39 -41.19 63.65 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.967 -1.083 . . . . 0.0 110.035 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.57 -50.06 68.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.775 -1.203 . . . . 0.0 109.688 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.469 ' CZ3' ' OE2' ' A' ' 89' ' ' GLU . 45.3 m0 -58.92 -43.01 91.05 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 109.15 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.59 82.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.126 -0.984 . . . . 0.0 109.773 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.3 mtp -76.02 -32.6 59.46 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.277 -0.89 . . . . 0.0 109.328 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -62.85 -37.84 88.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -75.86 -54.17 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.192 -0.943 . . . . 0.0 110.264 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -55.0 -29.97 58.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 110.814 -178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.3 mt -72.75 -41.01 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 120.573 -1.33 . . . . 0.0 109.815 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -57.04 -46.99 81.99 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.279 -1.513 . . . . 0.0 109.824 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -27.89 68.77 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.883 -1.136 . . . . 0.0 109.64 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.05 -47.05 75.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 110.242 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.87 18.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.991 -1.068 . . . . 0.0 108.856 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 56.21 70.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.34 -0.85 . . . . 0.0 109.822 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 94.9 mtt180 -149.41 39.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -47.5 -28.79 2.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.59 -0.694 . . . . 0.0 110.405 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.74 -27.07 26.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.976 -1.077 . . . . 0.0 109.608 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.4 -26.6 61.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.38 -0.825 . . . . 0.0 109.021 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -72.55 -34.18 67.34 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.762 -1.211 . . . . 0.0 108.597 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -65.47 -44.37 87.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.182 -0.949 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -74.98 -42.59 57.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.0 109.625 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.79 53.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.201 -0.937 . . . . 0.0 109.375 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -69.74 -27.48 64.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.478 -0.764 . . . . 0.0 109.004 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -80.61 -29.64 36.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.99 -1.069 . . . . 0.0 109.913 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -98.0 -5.25 34.5 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' OE2' ' CZ3' ' A' ' 66' ' ' TRP . 20.2 tp10 -56.14 113.64 6.18 Favored Pre-proline 0 N--CA 1.499 1.987 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.98 147.45 94.54 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 109.439 -1.024 . . . . 0.0 109.439 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.065 -0.969 . . . . 0.0 108.827 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.236 0.541 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.41 97.4 0.69 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.219 -0.926 . . . . 0.0 109.487 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -77.29 140.65 40.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.232 -0.918 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 m -61.45 -19.57 62.13 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.28 -0.888 . . . . 0.0 109.174 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -63.4 -38.8 92.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.943 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.4 m -74.35 -42.58 59.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -67.44 -52.06 44.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.064 -1.022 . . . . 0.0 109.611 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.75 -33.04 63.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.039 -1.038 . . . . 0.0 109.697 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.03 70.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.517 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 10' ' ' ARG . 15.8 mtt-85 -72.54 -33.05 66.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.386 -0.821 . . . . 0.0 109.47 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 34.1 m-85 -68.97 -53.29 21.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.148 -0.97 . . . . 0.0 109.343 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.59 -30.23 69.7 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' A' ' 15' ' ' LEU . 53.4 mt-10 -82.04 -24.17 35.47 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.56 -0.79 0.66 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.193 -0.942 . . . . 0.0 109.509 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 13' ' ' GLU . 53.8 mt -88.18 160.03 17.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.029 -1.044 . . . . 0.0 109.246 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.57 150.62 48.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.331 -0.856 . . . . 0.0 108.994 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -52.49 -47.59 66.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.146 -0.971 . . . . 0.0 110.007 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.093 -1.004 . . . . 0.0 109.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.15 -29.49 70.61 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.146 -0.972 . . . . 0.0 108.942 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.62 -36.49 82.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.621 -0.674 . . . . 0.0 109.529 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -58.29 -41.77 85.12 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.237 -0.915 . . . . 0.0 109.329 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE2' HG21 ' A' ' 72' ' ' ILE . 26.3 t80 -57.12 -35.62 69.68 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.417 -0.802 . . . . 0.0 109.436 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HZ1' ' HB3' ' A' ' 45' ' ' GLU . 63.2 tttp -68.4 -39.77 81.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.334 -0.854 . . . . 0.0 110.042 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 40.1 mtm -72.02 -39.21 69.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.222 -0.924 . . . . 0.0 109.43 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -31.11 69.28 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.061 -1.024 . . . . 0.0 110.008 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.38 -49.28 56.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.881 -1.137 . . . . 0.0 109.565 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 30' ' ' TYR . 53.6 mt-10 -72.39 -30.2 64.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.204 -0.935 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.27 29.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.15 -0.968 . . . . 0.0 109.933 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.429 ' H ' ' C ' ' A' ' 28' ' ' GLU . 37.6 t80 -70.99 135.93 85.1 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.031 -1.043 . . . . 0.0 108.441 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -63.42 165.32 17.94 Favored 'Trans proline' 0 CA--C 1.55 1.284 0 N-CA-C 109.553 -0.979 . . . . 0.0 109.553 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -64.08 137.08 55.33 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.063 1.175 . . . . 0.0 109.408 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -111.53 -24.7 9.98 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.6 tttp 57.46 38.31 28.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.906 . . . . 0.0 109.029 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.62 41.61 0.04 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -168.2 149.43 5.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -1.143 . . . . 0.0 109.172 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 37' ' ' ILE . 13.0 tt -83.96 116.86 66.84 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.277 -0.889 . . . . 0.0 109.021 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -68.36 144.5 62.09 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 N-CA-C 109.007 -1.19 . . . . 0.0 109.007 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.5 mm? -71.45 119.17 72.32 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -58.75 134.87 63.35 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 119.889 0.996 . . . . 0.0 109.815 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -64.63 -31.57 72.85 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.382 -0.824 . . . . 0.0 109.632 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.28 -42.06 96.4 Favored Glycine 0 N--CA 1.505 3.274 0 C-N-CA 119.655 -1.259 . . . . 0.0 110.017 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -75.79 -31.59 59.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.713 -1.463 . . . . 0.0 109.433 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -75.12 -41.28 58.82 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HB3' ' HZ1' ' A' ' 24' ' ' LYS . 2.0 pp20? -73.6 -41.66 62.56 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.921 -1.112 . . . . 0.0 109.765 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' CD ' ' A' ' 45' ' ' GLU . 59.9 tttp -70.93 -16.4 62.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.939 -1.101 . . . . 0.0 109.569 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 130.76 44.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 109.647 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.2 167.73 19.97 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.551 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.0 p-80 -50.35 -44.55 54.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.986 -1.071 . . . . 0.0 110.325 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.6 t -69.25 -50.0 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.067 -1.021 . . . . 0.0 109.086 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -60.0 -35.15 74.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.198 -0.939 . . . . 0.0 109.606 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -52.0 64.11 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.174 -0.954 . . . . 0.0 109.206 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.69 69.85 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.11 -0.994 . . . . 0.0 109.867 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.5 m -73.19 -38.17 66.24 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.074 -1.016 . . . . 0.0 110.236 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.97 -35.72 69.62 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.813 -1.179 . . . . 0.0 109.369 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.4 ttt -71.71 -43.82 65.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.777 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.0 mt -77.18 -37.11 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.873 -1.142 . . . . 0.0 110.024 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -76.8 -46.65 24.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.964 -1.085 . . . . 0.0 111.285 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -79.26 -41.48 28.07 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.822 -1.174 . . . . 0.0 112.164 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -92.93 -27.35 17.13 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 120.57 -1.331 . . . . 0.0 110.264 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.48 166.68 35.14 Favored Glycine 0 N--CA 1.501 2.994 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 4.5 tm-20 -70.81 -31.52 68.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -1.056 . . . . 0.0 110.104 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.38 -53.46 14.03 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.976 -1.078 . . . . 0.0 110.459 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.1 -39.42 65.82 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.968 -1.083 . . . . 0.0 110.294 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.01 68.54 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.908 -1.12 . . . . 0.0 109.666 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 11.1 m0 -66.16 -50.38 64.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.224 -0.923 . . . . 0.0 109.022 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.12 -39.7 69.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.188 -0.945 . . . . 0.0 110.051 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.5 mmm -76.08 -33.52 59.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -70.74 -39.73 73.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -0.988 . . . . 0.0 110.25 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.0 -52.49 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.083 -1.011 . . . . 0.0 110.381 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -57.38 -32.46 66.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 110.33 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG21 ' CE2' ' A' ' 23' ' ' PHE . 42.0 mt -72.8 -34.85 48.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 120.563 -1.336 . . . . 0.0 109.241 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.3 m-30 -57.09 -47.32 81.33 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.649 -1.282 . . . . 0.0 109.53 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.03 69.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.928 -1.107 . . . . 0.0 109.779 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.67 -46.89 74.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.155 -0.966 . . . . 0.0 110.156 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -84.49 19.51 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.988 -1.07 . . . . 0.0 109.505 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 54.1 86.45 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.554 -0.716 . . . . 0.0 109.782 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.57 30.18 0.32 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -47.39 -29.11 2.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.679 -0.638 . . . . 0.0 110.841 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.93 -51.39 59.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.993 -1.067 . . . . 0.0 110.356 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.3 tp -57.74 -25.64 60.7 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.166 -0.959 . . . . 0.0 109.797 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.31 -39.81 74.59 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.829 -1.169 . . . . 0.0 108.684 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.2 -40.13 80.78 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.196 -0.94 . . . . 0.0 109.184 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -74.46 -43.1 57.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.353 -0.842 . . . . 0.0 109.289 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -34.26 68.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.283 -0.886 . . . . 0.0 109.722 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.64 -27.51 65.11 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.283 -0.886 . . . . 0.0 109.735 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -78.83 -28.33 44.38 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.964 -1.085 . . . . 0.0 109.96 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 22.8 t70 -90.41 -5.5 56.05 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.035 -1.041 . . . . 0.0 109.698 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.9 pt-20 -56.35 120.33 34.72 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.04 -1.038 . . . . 0.0 109.15 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -62.75 159.01 39.25 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 N-CA-C 109.314 -1.071 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.6 mttm . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 118.033 -0.984 . . . . 0.0 108.86 179.616 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.39 97.33 0.69 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.288 -0.883 . . . . 0.0 109.284 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -75.25 146.21 41.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.304 -0.873 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -65.24 -15.67 62.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 0.0 109.083 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -58.4 -47.75 82.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.822 . . . . 0.0 109.519 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -69.5 -29.65 67.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.59 -48.46 48.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.157 -0.964 . . . . 0.0 110.206 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.07 -34.1 76.86 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.33 -27.81 63.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 108.839 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -66.56 -33.16 75.06 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.505 -0.747 . . . . 0.0 109.515 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -75.16 -53.41 8.88 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.208 -0.933 . . . . 0.0 109.65 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 20' ' ' LEU . 19.4 mt -59.98 -26.25 65.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.066 -1.021 . . . . 0.0 108.853 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -81.9 -31.8 31.25 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.147 -0.971 . . . . 0.0 109.691 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.16 -1.12 38.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.921 -1.112 . . . . 0.0 110.736 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -87.18 156.6 19.61 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 108.618 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -65.33 150.23 48.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.341 -0.849 . . . . 0.0 109.737 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.72 -47.73 81.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.311 -0.868 . . . . 0.0 110.352 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 19' ' ' ASP . 12.7 p -65.95 -41.44 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.933 -1.104 . . . . 0.0 109.584 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 18' ' ' VAL . 64.4 m-20 -70.44 -29.23 65.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.021 . . . . 0.0 108.603 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 12' ' ' LEU . 45.3 tp -65.1 -42.28 94.16 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -62.83 -45.69 91.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.429 -0.795 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -56.22 -32.81 64.77 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.1 -1.0 . . . . 0.0 109.642 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 72' ' ' ILE . 36.2 t80 -65.09 -42.04 94.45 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.14 -0.975 . . . . 0.0 109.815 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.4 mttp -67.02 -48.76 67.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.908 -1.12 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tpt -59.9 -33.81 72.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.367 -0.833 . . . . 0.0 109.098 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -69.28 -30.85 69.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.442 -0.786 . . . . 0.0 109.742 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.74 -43.06 97.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.995 -1.066 . . . . 0.0 109.318 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 30' ' ' TYR . 2.2 mp0 -73.62 -29.55 62.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.056 -1.028 . . . . 0.0 109.01 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.25 3.15 0.96 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.263 -0.898 . . . . 0.0 109.792 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 28' ' ' GLU . 33.5 t80 -63.58 119.97 58.63 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -63.62 151.69 83.86 Favored 'Trans proline' 0 CA--C 1.554 1.514 0 N-CA-C 109.485 -1.006 . . . . 0.0 109.485 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -67.27 144.68 69.38 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 120.96 1.107 . . . . 0.0 109.484 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -111.67 18.37 19.06 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 tttm 55.95 49.91 14.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.36 -0.837 . . . . 0.0 109.162 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.56 -44.65 0.28 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.3 p -60.48 136.73 58.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -1.093 . . . . 0.0 108.973 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 37' ' ' ILE . 14.9 tt -82.38 117.17 67.51 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 120.924 -1.11 . . . . 0.0 108.636 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -66.31 137.86 48.88 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 CA-C-N 119.719 0.936 . . . . 0.0 109.668 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.6 mp -83.66 119.65 74.03 Favored Pre-proline 0 N--CA 1.497 1.878 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.11 140.09 86.36 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 CA-C-N 120.001 1.036 . . . . 0.0 109.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.01 -32.92 74.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.293 -0.879 . . . . 0.0 109.178 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.45 -24.74 67.96 Favored Glycine 0 N--CA 1.502 3.058 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -74.44 -35.95 63.37 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.029 -1.277 . . . . 0.0 110.599 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 p -72.2 -55.76 6.69 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.864 -1.147 . . . . 0.0 110.561 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.59 -38.02 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 110.029 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.55 -17.06 62.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.77 -1.206 . . . . 0.0 108.787 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.08 139.06 31.47 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.217 -0.927 . . . . 0.0 109.542 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -80.35 170.36 16.5 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.285 -0.885 . . . . 0.0 108.904 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -57.46 -47.23 82.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.992 -1.067 . . . . 0.0 109.555 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.94 -49.04 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.053 -1.029 . . . . 0.0 108.597 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -34.69 72.74 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.286 -0.884 . . . . 0.0 109.501 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.1 -51.18 67.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.952 . . . . 0.0 109.442 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.97 69.43 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.163 -0.961 . . . . 0.0 109.625 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.9 m -73.24 -35.36 66.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.035 -1.041 . . . . 0.0 110.079 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.2 -34.91 68.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.883 -1.136 . . . . 0.0 109.165 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.6 ttt -71.43 -39.83 70.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.013 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.53 -41.5 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.767 -1.208 . . . . 0.0 110.079 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -77.2 -48.0 18.75 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.931 -1.106 . . . . 0.0 111.323 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -76.89 -41.81 42.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.997 -1.065 . . . . 0.0 112.112 -176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' SD ' ' A' ' 68' ' ' MET . 0.4 OUTLIER -93.11 -27.16 17.1 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.686 -1.259 . . . . 0.0 110.122 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.42 159.76 28.05 Favored Glycine 0 N--CA 1.504 3.191 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -70.66 -31.25 68.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -1.06 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -71.23 -52.91 16.38 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.077 -1.014 . . . . 0.0 110.419 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -73.68 -40.71 63.45 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.063 -1.023 . . . . 0.0 110.163 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.7 23.85 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.904 -1.122 . . . . 0.0 110.315 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.054 -1.029 . . . . 0.0 109.101 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.52 70.85 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.173 -0.954 . . . . 0.0 109.817 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.422 ' SD ' ' OD1' ' A' ' 60' ' ' ASN . 7.5 mtt -75.97 -32.63 59.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.146 -0.971 . . . . 0.0 109.197 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.98 -44.65 79.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 109.898 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 71' ' ' TRP . 28.5 m -75.7 -39.23 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.14 -0.975 . . . . 0.0 110.088 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.43 ' N ' HG23 ' A' ' 70' ' ' VAL . 75.3 t90 -67.3 -33.96 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.076 -1.015 . . . . 0.0 110.007 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.418 HG21 ' CE2' ' A' ' 23' ' ' PHE . 49.1 mt -72.83 -34.15 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 O-C-N 120.652 -1.28 . . . . 0.0 108.628 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.1 -47.25 81.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.803 -1.185 . . . . 0.0 109.543 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.41 69.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.929 -1.107 . . . . 0.0 109.834 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -61.97 -43.15 99.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.115 -0.991 . . . . 0.0 109.673 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.439 ' C ' ' H ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -72.95 14.32 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.087 -1.008 . . . . 0.0 108.887 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.62 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER 55.72 5.37 0.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 110.173 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 78' ' ' ARG . 14.4 mtt-85 -81.11 55.19 2.43 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.051 -1.031 . . . . 0.0 108.567 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -54.96 -29.42 56.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.39 -0.819 . . . . 0.0 110.187 -179.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -59.23 -42.85 92.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.016 -1.053 . . . . 0.0 109.765 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.47 -26.11 68.35 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.817 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' CD2' ' NH2' ' A' ' 79' ' ' ARG . 84.0 t80 -71.58 -33.87 69.43 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.771 -1.206 . . . . 0.0 109.004 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.29 -41.98 99.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.175 -0.953 . . . . 0.0 108.734 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -74.61 -49.89 19.91 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.475 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.53 -31.54 62.18 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.357 -0.839 . . . . 0.0 109.748 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -66.34 -27.69 68.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 109.659 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.42 -28.45 52.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.96 -1.087 . . . . 0.0 109.805 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -88.39 -4.63 58.62 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.006 -1.058 . . . . 0.0 109.733 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 13.7 pt-20 -56.37 122.39 49.25 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.1 -1.0 . . . . 0.0 109.018 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.21 154.5 62.59 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.4 tttm . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.333 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.03 101.08 0.81 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -69.89 132.04 45.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 108.965 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.69 -35.16 70.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.209 -0.932 . . . . 0.0 108.803 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -52.76 -47.57 67.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.269 -0.894 . . . . 0.0 109.817 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.4 -32.13 69.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.268 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -65.47 -47.02 77.53 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.378 -0.827 . . . . 0.0 109.762 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.81 -33.38 74.03 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.058 -1.026 . . . . 0.0 109.015 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.86 77.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.965 -1.085 . . . . 0.0 109.469 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -68.93 -33.67 74.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.411 -0.806 . . . . 0.0 109.798 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.66 -55.15 5.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.954 -1.091 . . . . 0.0 110.03 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 mt -58.0 -26.65 62.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.932 -1.105 . . . . 0.0 109.105 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.45 -25.64 35.94 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.141 -0.974 . . . . 0.0 108.845 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.23 -1.71 2.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.729 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.1 mt -96.26 156.05 16.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.172 -0.955 . . . . 0.0 109.337 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -65.54 150.67 48.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.442 -0.786 . . . . 0.0 109.195 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.51 -47.3 66.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.188 -0.945 . . . . 0.0 110.113 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.75 -39.44 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.132 -0.98 . . . . 0.0 109.583 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -66.29 -29.34 69.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.026 -1.046 . . . . 0.0 108.99 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -62.19 -38.81 90.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 108.781 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 6.4 ttpm? -68.75 -38.85 80.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.547 -0.721 . . . . 0.0 110.022 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 50.2 mttp -67.68 -27.84 67.18 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.113 -0.992 . . . . 0.0 109.184 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.432 ' CE2' HG21 ' A' ' 72' ' ' ILE . 41.5 t80 -67.1 -42.32 84.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.047 -1.033 . . . . 0.0 109.377 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -69.44 -43.44 73.31 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.104 . . . . 0.0 109.421 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.5 -34.17 68.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 0.0 109.581 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -65.91 -37.6 86.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.184 -0.947 . . . . 0.0 109.103 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.05 -32.12 73.67 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.123 -0.985 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.38 -14.16 60.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.653 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.1 52.76 1.97 Allowed 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.508 -0.745 . . . . 0.0 109.34 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -71.44 134.95 84.28 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.98 . . . . 0.0 108.644 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.07 123.05 11.0 Favored 'Trans proline' 0 CA--C 1.559 1.741 0 N-CA-C 108.916 -1.225 . . . . 0.0 108.916 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -67.05 133.12 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 N-CA-C 109.315 -1.071 . . . . 0.0 109.315 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -107.55 -44.65 4.23 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.592 -0.693 . . . . 0.0 109.165 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -164.92 35.0 0.06 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 109.476 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.45 95.92 0.1 Allowed Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 m -67.38 116.36 8.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -1.158 . . . . 0.0 109.795 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt -127.87 93.97 38.28 Favored Pre-proline 0 N--CA 1.507 2.402 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -73.23 137.6 26.31 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 N-CA-C 109.6 -0.961 . . . . 0.0 109.6 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.74 122.35 60.81 Favored Pre-proline 0 N--CA 1.499 1.992 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -51.08 133.45 41.08 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 CA-C-N 120.03 1.046 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -65.13 -44.66 87.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.14 -34.67 74.13 Favored Glycine 0 N--CA 1.505 3.247 0 C-N-CA 119.8 -1.19 . . . . 0.0 110.562 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -74.81 -41.19 60.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.75 -1.441 . . . . 0.0 110.059 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.4 m -66.75 -45.59 78.11 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.034 -1.041 . . . . 0.0 109.866 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.52 -38.55 68.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.01 -1.056 . . . . 0.0 109.534 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.82 -17.41 62.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.837 -1.164 . . . . 0.0 109.065 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.13 127.83 34.1 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 0.0 109.581 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -79.96 168.24 19.46 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.184 -0.948 . . . . 0.0 108.448 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.557 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.2 p-80 -48.47 -40.95 28.18 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.915 -1.116 . . . . 0.0 110.596 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.3 t -73.0 -47.79 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.127 -0.983 . . . . 0.0 109.284 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.66 -35.07 79.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 0.0 109.805 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.48 -51.65 67.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.117 -0.989 . . . . 0.0 109.023 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.72 -28.74 67.6 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 109.909 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 56.2 m -72.74 -36.33 67.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.123 -0.986 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 tp -70.99 -34.66 71.58 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.9 -1.125 . . . . 0.0 108.84 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mmm -66.85 -40.1 87.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 109.293 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.29 -40.49 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.97 -1.081 . . . . 0.0 110.462 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.91 -46.6 23.81 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.725 -1.234 . . . . 0.0 111.555 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -72.7 -42.29 64.36 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.955 -1.091 . . . . 0.0 112.548 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -99.44 -27.68 13.62 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 120.76 -1.213 . . . . 0.0 110.787 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.45 165.65 24.56 Favored Glycine 0 N--CA 1.505 3.269 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -70.65 -34.18 71.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.267 -1.137 . . . . 0.0 109.969 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.93 -52.43 20.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.314 -0.866 . . . . 0.0 110.975 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -70.48 -37.96 74.32 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.911 -1.118 . . . . 0.0 109.972 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -52.22 60.23 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.929 -1.107 . . . . 0.0 110.218 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -59.25 -47.41 85.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.032 -1.042 . . . . 0.0 108.954 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.85 -37.92 66.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.18 -0.95 . . . . 0.0 109.978 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.6 mtp -77.14 -32.5 56.39 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.14 -0.975 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.9 70.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.9 . . . . 0.0 110.679 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 71' ' ' TRP . 32.1 m -75.85 -41.13 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.948 -1.095 . . . . 0.0 110.721 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' N ' HG23 ' A' ' 70' ' ' VAL . 82.4 t90 -66.79 -30.04 70.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.057 -1.027 . . . . 0.0 110.307 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.432 HG21 ' CE2' ' A' ' 23' ' ' PHE . 41.0 mt -72.86 -41.9 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.655 -1.278 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -56.99 -46.96 81.89 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.322 -1.486 . . . . 0.0 109.749 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.24 -28.02 68.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.938 -1.102 . . . . 0.0 109.809 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -65.35 -46.8 78.77 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.124 -0.985 . . . . 0.0 110.269 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.14 19.75 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.127 -0.983 . . . . 0.0 108.537 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.441 ' H ' ' C ' ' A' ' 75' ' ' ALA . 37.2 m-80 58.83 16.92 4.83 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.64 -0.662 . . . . 0.0 110.109 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -79.53 52.75 1.44 Allowed 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.121 -0.987 . . . . 0.0 108.571 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -53.09 -36.97 61.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.483 -0.761 . . . . 0.0 110.977 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.84 -48.64 70.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.839 -1.163 . . . . 0.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -57.73 -26.55 61.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.367 -0.833 . . . . 0.0 108.845 -179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.99 -35.17 62.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.476 -1.39 . . . . 0.0 109.525 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -60.71 -44.89 96.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.084 -1.01 . . . . 0.0 109.966 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.29 -34.28 61.29 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.984 -1.072 . . . . 0.0 110.145 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.86 70.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 110.179 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -28.44 64.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.026 -1.047 . . . . 0.0 109.413 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.31 -24.82 62.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.087 -1.008 . . . . 0.0 109.95 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -96.15 -3.25 44.81 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.243 -0.911 . . . . 0.0 110.147 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -63.78 117.08 31.8 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 121.093 -1.005 . . . . 0.0 108.358 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.47 157.67 53.67 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 N-CA-C 109.404 -1.037 . . . . 0.0 109.404 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.22 179.78 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.61 97.31 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 109.509 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 m -72.53 138.37 46.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.311 -0.868 . . . . 0.0 109.084 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.2 m -66.05 -19.56 65.89 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.321 -0.862 . . . . 0.0 109.195 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -57.13 -49.77 74.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.211 -0.93 . . . . 0.0 109.488 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.0 m -68.64 -28.34 66.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.159 -0.963 . . . . 0.0 109.412 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HZ2' ' HE2' ' A' ' 11' ' ' TYR . 19.8 tptp -69.02 -45.53 70.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 109.548 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.19 -46.07 90.97 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.137 -0.977 . . . . 0.0 108.437 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.07 82.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.009 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -55.76 -33.21 64.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.387 -0.821 . . . . 0.0 109.785 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.557 ' HE2' ' HZ2' ' A' ' 7' ' ' LYS . 17.9 m-85 -77.57 -56.34 4.61 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.104 -0.998 . . . . 0.0 109.919 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 -26.16 64.76 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.945 -1.097 . . . . 0.0 108.919 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -80.5 -25.73 38.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -80.89 -4.49 55.03 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.189 -0.945 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD22 HH22 ' A' ' 78' ' ' ARG . 25.8 mt -93.16 169.41 10.42 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 120.826 -1.171 . . . . 0.0 109.639 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.45 149.99 49.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.594 -0.691 . . . . 0.0 109.617 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.27 -40.52 74.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 0.0 109.897 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.97 -32.39 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.12 -0.987 . . . . 0.0 109.154 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.8 -29.34 66.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.928 -1.108 . . . . 0.0 108.218 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.94 -45.73 91.12 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.56 -38.16 88.98 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.83 -0.543 . . . . 0.0 110.976 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.15 -28.0 64.99 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.826 -1.171 . . . . 0.0 110.122 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CE2' HG21 ' A' ' 72' ' ' ILE . 12.2 t80 -68.6 -40.7 80.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.912 -1.118 . . . . 0.0 109.592 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.65 -48.15 64.73 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.885 -1.134 . . . . 0.0 108.752 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.425 ' SD ' ' OD2' ' A' ' 29' ' ' ASP . 12.5 tmm? -51.64 -33.92 35.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.58 -0.7 . . . . 0.0 109.759 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.31 -43.42 81.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.322 -0.861 . . . . 0.0 109.256 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.46 -31.26 62.19 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.052 -1.03 . . . . 0.0 109.052 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.8 -17.85 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' OD2' ' SD ' ' A' ' 25' ' ' MET . 30.2 p30 -143.74 52.0 1.33 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.309 -0.869 . . . . 0.0 109.462 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -70.57 135.6 86.1 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -64.69 122.93 10.94 Favored 'Trans proline' 0 CA--C 1.557 1.642 0 N-CA-C 108.83 -1.258 . . . . 0.0 108.83 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -65.45 132.84 32.53 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 N-CA-C 109.086 -1.159 . . . . 0.0 109.086 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -87.1 -44.51 11.48 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.101 -1.0 . . . . 0.0 108.854 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -169.53 90.35 0.2 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.342 -0.849 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.09 23.99 73.12 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.26 150.37 25.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -1.114 . . . . 0.0 109.57 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 37' ' ' ILE . 16.3 tt -83.65 118.04 70.35 Favored Pre-proline 0 N--CA 1.495 1.825 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -67.23 137.8 44.91 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 N-CA-C 109.516 -0.994 . . . . 0.0 109.516 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.2 mm? -82.69 119.33 74.33 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.72 133.34 50.62 Favored 'Trans proline' 0 C--O 1.21 -0.913 0 CA-C-N 119.987 1.031 . . . . 0.0 109.601 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -65.54 -31.59 72.73 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.311 -0.868 . . . . 0.0 110.058 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.3 -40.32 22.26 Favored Glycine 0 N--CA 1.507 3.375 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.666 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' ALA . 17.0 pt20 -74.33 -39.72 62.66 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.473 -1.604 . . . . 0.0 110.25 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -55.8 -55.69 29.41 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -61.65 -39.08 90.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.066 -1.021 . . . . 0.0 109.6 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -77.42 -16.68 58.68 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.923 -1.111 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -79.54 124.33 28.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.194 -0.941 . . . . 0.0 109.787 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 1.0 OUTLIER -80.32 174.14 11.89 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.151 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -53.34 -45.25 69.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.881 -1.137 . . . . 0.0 109.99 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.16 -52.38 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.013 -1.054 . . . . 0.0 108.77 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.14 -34.3 68.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 0.0 109.693 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 tp -55.58 -50.21 70.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.944 -1.097 . . . . 0.0 109.216 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.96 70.18 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.0 109.6 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.6 m -70.57 -36.1 73.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.147 -0.97 . . . . 0.0 110.133 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.89 -34.86 69.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.942 -1.099 . . . . 0.0 109.059 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 ttt -70.63 -41.65 71.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.0 109.761 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.7 mt -77.74 -38.43 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 120.845 -1.159 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.08 -46.16 24.57 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.886 -1.134 . . . . 0.0 111.607 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -77.25 -42.28 37.83 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.92 -1.112 . . . . 0.0 112.116 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -94.66 -27.3 15.94 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 120.61 -1.306 . . . . 0.0 110.351 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.86 163.55 28.96 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.39 -33.7 71.7 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.212 -1.169 . . . . 0.0 109.892 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.73 -52.77 22.52 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.006 . . . . 0.0 110.494 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -72.27 -38.27 68.87 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.918 -1.114 . . . . 0.0 110.583 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.89 -55.67 24.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.845 -1.159 . . . . 0.0 110.251 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -57.48 -38.87 75.25 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.078 -1.014 . . . . 0.0 108.973 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.37 88.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.203 -0.936 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 70.4 mtp -75.98 -32.56 59.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.253 -0.904 . . . . 0.0 109.114 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -58.55 -37.77 76.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 109.85 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -76.07 -54.82 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.254 -0.904 . . . . 0.0 110.224 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -54.41 -29.69 49.87 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.826 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG21 ' CE2' ' A' ' 23' ' ' PHE . 31.3 mt -72.47 -42.28 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.353 0 O-C-N 120.479 -1.388 . . . . 0.0 109.985 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.424 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 6.2 m-85 -56.48 -46.76 80.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.388 -1.445 . . . . 0.0 109.779 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -27.84 68.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.019 -1.05 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.99 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.178 -0.952 . . . . 0.0 110.402 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.74 19.29 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 121.048 -1.033 . . . . 0.0 109.363 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 59.02 82.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 0.0 110.277 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.406 HH22 HD22 ' A' ' 15' ' ' LEU . 49.5 mtp180 -155.53 33.92 0.37 Allowed 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 79' ' ' ARG . 4.6 ptt-85 -47.6 -29.01 2.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.17 -32.01 65.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.917 -1.114 . . . . 0.0 109.274 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.5 tp -69.62 -26.52 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.306 -0.871 . . . . 0.0 109.478 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.15 -34.1 68.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.71 -1.244 . . . . 0.0 108.747 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.91 -44.05 86.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.58 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -76.56 -36.43 57.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.916 -1.115 . . . . 0.0 110.109 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.73 80.35 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.214 -0.929 . . . . 0.0 111.044 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -28.57 70.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.744 -1.223 . . . . 0.0 109.432 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -73.98 -30.27 62.41 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.127 -0.983 . . . . 0.0 109.563 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -98.92 -5.24 31.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.353 -0.842 . . . . 0.0 109.689 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -56.96 115.14 9.5 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.207 -0.933 . . . . 0.0 109.064 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.07 160.0 31.97 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.146 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 115.23 6.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -69.89 131.75 44.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.0 m -83.92 -22.41 31.54 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.247 -0.908 . . . . 0.0 109.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -69.67 -42.53 74.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.242 -0.911 . . . . 0.0 109.673 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.8 m -71.64 -40.25 69.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 109.987 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -73.46 -49.33 27.37 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.15 -0.969 . . . . 0.0 110.141 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.48 -33.23 72.29 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.925 -1.109 . . . . 0.0 109.373 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.01 72.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.91 -33.08 74.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 109.44 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -67.0 -52.62 40.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.212 -0.93 . . . . 0.0 109.07 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -61.19 -30.56 70.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.262 -0.898 . . . . 0.0 108.733 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' LEU . 46.8 mt-10 -82.51 -28.29 31.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.323 -0.86 . . . . 0.0 109.274 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.31 0.98 0.37 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.308 -0.87 . . . . 0.0 110.011 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 13' ' ' GLU . 28.1 mt -87.51 162.66 17.1 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.831 -1.168 . . . . 0.0 109.605 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 21.4 mp0 -69.89 156.23 39.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.444 -0.785 . . . . 0.0 109.391 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.17 -42.24 80.77 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.797 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.77 -39.66 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.209 -0.932 . . . . 0.0 109.599 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -71.57 -29.11 64.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.55 -38.22 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.202 -0.936 . . . . 0.0 109.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -40.36 72.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.858 . . . . 0.0 110.244 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 6.2 mptp? -64.37 -33.7 76.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.127 -0.983 . . . . 0.0 109.233 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -66.21 -39.43 89.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.992 -1.068 . . . . 0.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.85 -42.04 81.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.971 -1.081 . . . . 0.0 109.685 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.2 ttm -66.77 -35.96 81.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.14 -0.975 . . . . 0.0 109.869 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 26.0 m80 -69.34 -38.64 78.26 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.178 -0.951 . . . . 0.0 109.274 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.1 tp -74.18 -32.08 62.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.959 -1.088 . . . . 0.0 109.168 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.46 -35.01 75.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.266 -0.896 . . . . 0.0 110.108 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -100.57 51.44 0.88 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.39 -0.819 . . . . 0.0 109.677 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -70.35 120.15 76.69 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.057 -1.027 . . . . 0.0 108.865 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.65 123.69 12.44 Favored 'Trans proline' 0 CA--C 1.561 1.858 0 N-CA-C 109.06 -1.169 . . . . 0.0 109.06 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -64.44 141.91 76.28 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 N-CA-C 109.479 -1.008 . . . . 0.0 109.479 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -97.34 -44.72 6.76 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.397 -0.814 . . . . 0.0 109.739 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -167.12 52.16 0.07 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.08 -1.013 . . . . 0.0 110.09 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 32.03 4.32 Favored Glycine 0 N--CA 1.505 3.25 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -68.16 151.26 47.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -1.166 . . . . 0.0 109.217 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.01 113.8 50.18 Favored Pre-proline 0 N--CA 1.501 2.095 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -70.06 137.57 34.9 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 CA-C-N 120.042 1.051 . . . . 0.0 109.64 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -87.97 119.66 70.52 Favored Pre-proline 0 N--CA 1.496 1.871 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.44 144.17 84.59 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 CA-C-N 120.001 1.036 . . . . 0.0 109.713 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.27 -34.49 78.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.239 -0.913 . . . . 0.0 109.514 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.02 -24.9 55.72 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -74.51 -51.83 13.61 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.938 -1.33 . . . . 0.0 109.955 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.6 p -63.17 -49.34 74.66 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 109.989 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.1 -40.37 97.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.749 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -78.27 -17.48 56.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.503 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.17 130.07 39.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.206 -0.933 . . . . 0.0 109.627 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.24 167.68 20.0 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -51.91 -41.61 62.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 110.1 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.12 -48.97 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.04 -1.038 . . . . 0.0 108.97 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.38 -35.91 76.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 109.764 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.91 -51.95 67.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.024 -1.047 . . . . 0.0 109.078 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -28.71 69.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.007 -1.058 . . . . 0.0 109.614 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.3 m -72.27 -33.55 67.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.176 -0.952 . . . . 0.0 110.041 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.8 mt -71.7 -34.4 69.59 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 108.851 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.2 mmm -68.35 -41.56 80.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.936 . . . . 0.0 109.537 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.8 mt -78.05 -40.13 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 120.958 -1.089 . . . . 0.0 110.27 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.95 -44.85 29.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.782 -1.199 . . . . 0.0 111.372 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -73.15 -41.71 63.62 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.935 -1.103 . . . . 0.0 112.162 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -100.8 -27.47 13.33 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.811 -1.181 . . . . 0.0 111.025 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.13 165.26 24.83 Favored Glycine 0 N--CA 1.505 3.28 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -70.85 -37.06 73.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.08 -1.247 . . . . 0.0 110.476 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.65 -53.13 14.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.992 -1.068 . . . . 0.0 110.698 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.68 -38.02 80.02 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.018 -1.052 . . . . 0.0 110.476 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.23 -40.56 74.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.847 -1.158 . . . . 0.0 109.578 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 31.3 m0 -64.53 -37.66 88.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.0 108.902 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.3 88.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.903 . . . . 0.0 109.905 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.83 -37.22 59.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.092 -1.005 . . . . 0.0 109.246 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -63.41 -41.25 98.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.265 -0.897 . . . . 0.0 109.313 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -75.8 -41.91 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.82 . . . . 0.0 109.903 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -64.68 -34.04 77.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.9 -1.125 . . . . 0.0 110.01 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mt -72.91 -33.68 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 120.65 -1.281 . . . . 0.0 108.837 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' ' NH2' ' A' ' 78' ' ' ARG . 4.0 m-30 -56.81 -47.18 80.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.857 -1.152 . . . . 0.0 109.853 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.19 -27.86 69.65 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.826 -1.171 . . . . 0.0 109.972 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.86 77.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.164 -0.96 . . . . 0.0 110.532 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 pt -90.03 19.64 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 O-C-N 121.022 -1.049 . . . . 0.0 109.712 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 1.6 m120 58.67 91.92 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.481 -0.762 . . . . 0.0 110.857 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.559 ' NH2' ' CE2' ' A' ' 73' ' ' PHE . 53.3 mtp180 -144.81 29.21 1.23 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -47.31 -37.44 10.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.586 -0.696 . . . . 0.0 110.606 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -74.4 -54.19 8.11 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.125 -0.984 . . . . 0.0 110.098 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -26.52 62.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.182 -0.949 . . . . 0.0 109.125 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.83 -38.61 73.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.957 -1.089 . . . . 0.0 108.773 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.4 -40.64 82.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.138 -0.976 . . . . 0.0 109.254 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.52 -43.63 54.97 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.347 -0.845 . . . . 0.0 109.39 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.98 72.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.14 -0.975 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.02 -27.5 68.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -0.852 . . . . 0.0 109.504 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -75.55 -29.29 59.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.937 -1.102 . . . . 0.0 109.562 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -91.23 -12.63 34.69 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.11 -0.994 . . . . 0.0 109.706 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -55.45 109.57 1.7 Allowed Pre-proline 0 N--CA 1.504 2.266 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.496 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.58 153.49 77.05 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 N-CA-C 109.282 -1.084 . . . . 0.0 109.282 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.009 -0.996 . . . . 0.0 108.797 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.4 105.64 0.75 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.42 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -69.93 131.78 44.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 m -78.83 -20.55 49.4 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.267 -0.895 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -56.91 -51.17 70.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.183 -0.948 . . . . 0.0 109.747 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.3 m -71.38 -23.79 61.96 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.183 -0.948 . . . . 0.0 109.837 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -73.65 -52.02 14.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.203 -0.935 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 57' ' ' ILE . 4.2 tp -61.64 -34.56 75.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.032 -1.042 . . . . 0.0 109.48 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.45 80.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.19 -0.944 . . . . 0.0 108.913 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -57.06 -33.1 66.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 109.531 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -70.89 -52.99 16.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.346 -0.846 . . . . 0.0 109.687 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -60.73 -28.71 68.88 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.446 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -81.71 -24.45 36.17 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.317 -0.865 . . . . 0.0 108.816 179.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.81 -2.04 11.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.169 -0.957 . . . . 0.0 110.025 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.15 159.41 15.03 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 121.022 -1.048 . . . . 0.0 109.386 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.54 159.49 24.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.4 -0.813 . . . . 0.0 109.788 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -47.3 86.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.328 -0.857 . . . . 0.0 109.888 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -32.51 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.982 -1.074 . . . . 0.0 109.132 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.42 -29.24 65.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.979 -1.075 . . . . 0.0 108.41 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 tp -68.9 -31.39 70.27 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -69.87 -32.49 70.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.674 -0.641 . . . . 0.0 109.926 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.18 -27.98 59.88 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.104 -0.997 . . . . 0.0 109.779 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -71.9 -40.33 68.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.982 -1.074 . . . . 0.0 110.092 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -69.86 -46.21 66.02 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 109.946 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.4 ttm -58.75 -40.67 84.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.936 . . . . 0.0 109.586 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.25 -31.06 68.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.189 -0.944 . . . . 0.0 109.72 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.66 -52.43 31.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.145 -0.972 . . . . 0.0 109.965 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.73 -36.26 83.07 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.103 -0.998 . . . . 0.0 109.961 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -78.4 36.48 0.25 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.067 -1.021 . . . . 0.0 109.713 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -73.47 119.58 76.62 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.185 -0.947 . . . . 0.0 109.007 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -68.68 125.38 12.64 Favored 'Trans proline' 0 CA--C 1.559 1.755 0 N-CA-C 108.943 -1.214 . . . . 0.0 108.943 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.15 142.71 88.04 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 N-CA-C 109.237 -1.101 . . . . 0.0 109.237 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -110.68 -44.84 3.59 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.535 -0.728 . . . . 0.0 109.815 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -170.04 95.59 0.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.22 -0.925 . . . . 0.0 109.516 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.23 -1.88 39.41 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -57.51 125.86 24.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.167 -1.196 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 37' ' ' ILE . 15.2 tt -83.26 117.2 67.89 Favored Pre-proline 0 N--CA 1.495 1.807 0 O-C-N 121.103 -0.998 . . . . 0.0 109.066 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -67.81 142.71 58.6 Favored 'Trans proline' 0 C--O 1.215 -0.659 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.9 mp -71.5 119.73 75.65 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.12 133.89 57.54 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 CA-C-N 119.921 1.008 . . . . 0.0 109.988 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -64.46 -32.1 73.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.662 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.41 93.46 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.564 -1.303 . . . . 0.0 110.265 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -75.05 -39.31 61.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.705 -1.468 . . . . 0.0 109.873 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.9 m -63.7 -52.5 60.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.009 . . . . 0.0 109.893 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.79 -36.67 85.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.995 -1.065 . . . . 0.0 109.447 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -70.57 -15.41 62.76 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.825 -1.172 . . . . 0.0 109.046 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.68 131.48 36.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.273 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 49' ' ' HIS . 34.6 t70 -80.13 -179.9 7.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.235 -0.915 . . . . 0.0 109.294 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 27.1 m-70 -60.28 -47.77 84.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.606 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.17 -48.19 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.95 -1.094 . . . . 0.0 108.742 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.59 -34.47 75.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.312 -0.867 . . . . 0.0 109.64 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.8 tp -54.45 -51.19 65.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.073 -1.017 . . . . 0.0 109.35 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.83 69.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.237 -0.914 . . . . 0.0 109.575 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.9 m -70.35 -35.65 73.71 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.061 -1.025 . . . . 0.0 110.122 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.12 -34.76 71.37 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.038 -1.039 . . . . 0.0 109.118 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 91.2 mtp -71.49 -41.82 68.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.951 . . . . 0.0 109.628 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.58 HD11 HD22 ' A' ' 8' ' ' LEU . 72.8 mt -77.93 -36.97 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.848 -1.158 . . . . 0.0 110.161 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 -46.15 25.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.71 -1.244 . . . . 0.0 111.51 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -78.78 -42.3 28.28 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.809 -1.182 . . . . 0.0 112.563 -176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.657 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -96.47 -27.42 14.89 Favored 'General case' 0 N--CA 1.511 2.616 0 O-C-N 120.666 -1.271 . . . . 0.0 110.655 -178.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.22 165.78 29.95 Favored Glycine 0 N--CA 1.503 3.119 0 N-CA-C 109.009 -1.636 . . . . 0.0 109.009 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.88 -30.96 67.48 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.171 -1.193 . . . . 0.0 110.13 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -70.51 -52.81 19.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.224 -0.923 . . . . 0.0 110.757 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -73.34 -41.52 63.36 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.911 -1.118 . . . . 0.0 110.15 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.48 69.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.836 -1.165 . . . . 0.0 109.874 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -57.5 -46.56 83.62 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.249 -0.907 . . . . 0.0 109.055 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.84 71.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.127 -0.983 . . . . 0.0 109.972 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.1 mtp -75.85 -32.61 59.84 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.201 -0.937 . . . . 0.0 109.361 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -66.69 -37.84 85.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.178 -0.951 . . . . 0.0 109.818 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.01 -48.11 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.182 -0.949 . . . . 0.0 110.311 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.01 -33.06 72.67 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.046 . . . . 0.0 110.429 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.0 mt -72.92 -34.35 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 120.516 -1.365 . . . . 0.0 109.044 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.8 m-30 -57.24 -47.3 81.72 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.868 -1.145 . . . . 0.0 109.76 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.3 -28.17 69.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.905 -1.122 . . . . 0.0 109.845 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.73 80.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.12 -0.987 . . . . 0.0 110.089 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.6 pt -83.98 18.76 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.119 -0.988 . . . . 0.0 109.684 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.2 t30 56.04 83.72 0.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.339 -0.851 . . . . 0.0 109.721 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -159.3 30.53 0.2 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -50.26 -32.42 16.74 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.672 -0.643 . . . . 0.0 111.093 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -58.58 -40.62 83.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.673 -1.267 . . . . 0.0 109.545 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -65.36 -25.95 67.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.929 . . . . 0.0 110.18 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -70.25 -35.93 74.12 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.695 -1.253 . . . . 0.0 108.54 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -62.39 -42.95 99.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.126 -0.984 . . . . 0.0 108.758 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.09 -44.53 63.09 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.84 -32.1 51.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -70.78 -27.7 64.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 87' ' ' ARG . 1.9 mmt-85 -78.87 -28.49 44.19 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.828 -1.17 . . . . 0.0 109.874 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.33 -3.46 50.38 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 109.502 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.6 109.49 1.59 Allowed Pre-proline 0 N--CA 1.503 2.192 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.15 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -63.61 151.86 83.05 Favored 'Trans proline' 0 C--O 1.214 -0.723 0 N-CA-C 109.452 -1.018 . . . . 0.0 109.452 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 118.19 -0.91 . . . . 0.0 109.869 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.45 114.82 1.04 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.204 -0.935 . . . . 0.0 109.443 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -69.76 151.34 45.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.277 -0.889 . . . . 0.0 109.278 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.4 m -67.49 -20.12 65.42 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -60.43 -51.09 70.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.877 . . . . 0.0 109.74 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.0 p -70.62 -27.71 64.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.187 -0.946 . . . . 0.0 109.673 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.09 -43.13 68.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.191 -0.943 . . . . 0.0 109.681 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -67.42 -43.85 80.23 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.232 -0.918 . . . . 0.0 108.881 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.05 -39.82 93.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.877 -1.139 . . . . 0.0 108.872 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -57.24 -33.08 67.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.22 -55.26 11.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.159 -0.963 . . . . 0.0 109.365 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.36 -26.56 68.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.067 -1.021 . . . . 0.0 108.753 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.34 -30.08 33.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.423 -0.798 . . . . 0.0 109.434 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.69 -2.41 9.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.142 -0.973 . . . . 0.0 110.364 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.27 168.38 11.13 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.917 -1.114 . . . . 0.0 109.038 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.82 164.37 26.13 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.321 -0.862 . . . . 0.0 109.062 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.58 -47.34 76.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.0 109.948 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.15 -33.02 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.961 -1.087 . . . . 0.0 108.819 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.24 -29.22 67.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.978 -1.076 . . . . 0.0 108.18 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.57 -31.21 71.78 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -66.19 -43.24 87.4 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.676 -0.64 . . . . 0.0 109.974 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 2.1 mptm? -63.49 -29.72 70.96 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.153 -0.967 . . . . 0.0 109.32 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -69.95 -43.25 71.95 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.888 -1.132 . . . . 0.0 109.978 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.37 -47.15 51.71 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.984 -1.073 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.6 ttt -58.13 -38.82 77.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 109.573 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 2.3 m80 -69.95 -31.18 68.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.111 -0.993 . . . . 0.0 109.338 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.06 -41.64 86.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.108 -0.995 . . . . 0.0 109.322 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.01 -31.96 72.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.2 -0.938 . . . . 0.0 109.503 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -89.62 29.54 1.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.2 -0.938 . . . . 0.0 109.48 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.15 120.19 62.27 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 108.895 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -65.14 128.49 20.66 Favored 'Trans proline' 0 CA--C 1.559 1.768 0 N-CA-C 108.761 -1.284 . . . . 0.0 108.761 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -64.54 135.49 45.95 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 N-CA-C 109.411 -1.034 . . . . 0.0 109.411 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -97.42 -45.19 6.54 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.386 -0.821 . . . . 0.0 109.388 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -170.48 94.22 0.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.235 -0.916 . . . . 0.0 109.43 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.73 15.54 68.95 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.45 131.82 51.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -1.156 . . . . 0.0 109.365 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.59 114.24 52.25 Favored Pre-proline 0 N--CA 1.501 2.096 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -66.51 137.8 47.83 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 CA-C-N 120.077 1.063 . . . . 0.0 109.908 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.15 123.41 88.01 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -52.29 135.77 53.99 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 CA-C-N 120.024 1.044 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.472 HH12 ' CD ' ' A' ' 45' ' ' GLU . 2.4 ttt-85 -63.9 -48.67 75.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.82 -29.4 50.13 Favored Glycine 0 N--CA 1.504 3.202 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -75.06 -40.07 60.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.069 -1.253 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.4 m -69.84 -46.97 64.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.214 -0.929 . . . . 0.0 109.758 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CD ' HH12 ' A' ' 41' ' ' ARG . 70.2 mm-40 -59.89 -39.65 86.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.967 -1.083 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -75.2 -14.76 60.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.904 -1.123 . . . . 0.0 109.147 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.22 126.05 30.29 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.224 -0.923 . . . . 0.0 109.617 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.35 169.63 17.48 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 109.089 179.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 1.9 p-80 -52.16 -44.87 64.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.121 -0.987 . . . . 0.0 110.101 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.9 t -68.71 -49.61 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.147 -0.97 . . . . 0.0 108.871 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.61 -34.13 70.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -0.946 . . . . 0.0 109.357 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.35 -51.67 66.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.043 -1.035 . . . . 0.0 108.977 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.79 65.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.082 -1.011 . . . . 0.0 109.876 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.7 m -73.81 -33.34 64.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.099 -1.0 . . . . 0.0 110.135 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.95 -34.72 69.22 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.91 -1.119 . . . . 0.0 108.799 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.7 mmm -70.96 -42.98 69.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 109.642 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.1 mt -77.81 -38.03 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 120.962 -1.086 . . . . 0.0 110.23 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -76.87 -42.33 40.37 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.875 -1.141 . . . . 0.0 111.546 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -83.24 -41.94 17.78 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.794 -1.191 . . . . 0.0 112.548 -176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -98.53 -27.88 13.84 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 120.682 -1.261 . . . . 0.0 111.193 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.29 176.33 39.01 Favored Glycine 0 N--CA 1.504 3.215 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 36.2 mp0 -70.94 -44.49 66.01 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.334 -1.098 . . . . 0.0 110.865 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -64.17 -49.27 72.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.802 -1.186 . . . . 0.0 112.041 -177.36 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 88.9 mttt -73.83 -42.18 61.23 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.346 -1.471 . . . . 0.0 109.661 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.66 -50.39 65.88 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.917 -1.114 . . . . 0.0 110.287 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -60.58 -35.3 75.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.125 -0.985 . . . . 0.0 108.957 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.36 -39.15 88.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.225 -0.922 . . . . 0.0 109.718 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.9 mtp -76.36 -32.31 58.55 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.219 -0.926 . . . . 0.0 109.295 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.77 81.29 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.913 . . . . 0.0 110.319 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 71' ' ' TRP . 14.6 p -75.67 -40.42 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.114 -0.991 . . . . 0.0 110.234 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' N ' HG13 ' A' ' 70' ' ' VAL . 86.8 t90 -65.98 -29.55 69.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.198 -0.938 . . . . 0.0 110.408 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.27 -42.25 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.506 -1.371 . . . . 0.0 109.621 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -56.84 -47.41 80.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.332 -1.48 . . . . 0.0 109.769 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.68 68.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.727 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.86 -46.78 64.79 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.132 -0.98 . . . . 0.0 110.799 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -82.52 18.78 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.795 -1.19 . . . . 0.0 110.411 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 57.38 75.44 0.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.157 -0.965 . . . . 0.0 109.738 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -143.49 45.47 1.51 Allowed 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -46.24 -32.94 3.34 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -54.53 -40.66 68.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.992 -1.068 . . . . 0.0 109.693 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.77 -25.36 66.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.381 -0.824 . . . . 0.0 109.031 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -67.29 -33.77 75.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.861 -1.15 . . . . 0.0 109.176 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.66 -47.27 48.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.261 -0.899 . . . . 0.0 110.365 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -74.58 -36.61 63.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.107 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.62 76.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.959 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -70.66 -27.48 64.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.174 -0.954 . . . . 0.0 110.092 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -83.71 -27.32 29.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.848 -1.157 . . . . 0.0 110.247 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -86.07 -2.63 58.5 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.019 -1.051 . . . . 0.0 110.02 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -56.33 114.8 8.37 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 121.099 -1.001 . . . . 0.0 108.464 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -63.68 157.06 53.68 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 118.019 -0.991 . . . . 0.0 108.947 179.734 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtp . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.68 97.01 1.01 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.246 -0.909 . . . . 0.0 109.69 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -84.64 173.27 10.88 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.243 -0.911 . . . . 0.0 109.022 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -67.78 -23.09 65.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.077 -1.014 . . . . 0.0 108.826 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 5' ' ' ARG . 20.5 mtt-85 -60.28 -51.02 71.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.822 . . . . 0.0 109.523 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 20.5 p -59.68 -34.05 72.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.244 -0.91 . . . . 0.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.84 -51.83 55.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.296 -0.878 . . . . 0.0 109.467 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -53.19 -32.58 48.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.907 -1.12 . . . . 0.0 109.643 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.1 -48.54 79.7 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.205 -0.934 . . . . 0.0 110.069 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.6 -33.82 73.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.157 -0.964 . . . . 0.0 110.054 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -72.07 -43.67 64.51 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.867 -1.146 . . . . 0.0 109.219 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.6 tp -73.52 -26.75 61.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.976 -1.078 . . . . 0.0 109.097 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -81.79 -27.51 33.68 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.066 -1.021 . . . . 0.0 110.629 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -61.48 -5.63 1.88 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.871 -1.143 . . . . 0.0 109.852 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -79.33 160.44 26.76 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.209 -0.932 . . . . 0.0 109.788 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.57 161.72 30.57 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.499 -0.751 . . . . 0.0 109.406 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.21 -47.67 81.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.955 . . . . 0.0 109.907 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.38 -32.45 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.023 -1.048 . . . . 0.0 108.96 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.02 -28.96 63.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.922 -1.111 . . . . 0.0 108.396 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -60.18 -39.05 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -69.2 -39.84 78.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.267 -0.895 . . . . 0.0 110.371 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -66.69 -40.41 88.51 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.033 -1.042 . . . . 0.0 109.925 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -63.47 -44.39 94.58 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.28 -0.887 . . . . 0.0 109.857 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -72.91 -48.16 39.48 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.023 -1.048 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.7 tpp -62.81 -38.93 92.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 0.0 109.776 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -69.78 -31.0 68.69 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.02 -50.27 71.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.194 -0.941 . . . . 0.0 109.7 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.48 -26.95 64.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.078 -1.014 . . . . 0.0 110.103 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -76.53 15.36 0.63 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.076 -1.015 . . . . 0.0 110.08 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -66.35 123.31 85.13 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.054 -1.029 . . . . 0.0 108.248 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -62.37 165.97 14.09 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 CA-C-N 119.882 0.994 . . . . 0.0 109.8 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -66.4 138.44 50.63 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 121.225 1.284 . . . . 0.0 109.636 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -111.8 22.34 15.05 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.7 pttp 36.4 47.91 0.54 Allowed 'General case' 0 N--CA 1.508 2.43 0 CA-C-O 121.471 0.653 . . . . 0.0 111.381 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.95 -74.01 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 29.6 t -64.94 151.48 45.65 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 109.326 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tt -82.98 133.14 48.93 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.171 -0.955 . . . . 0.0 108.475 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.37 141.98 89.23 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 N-CA-C 109.688 -0.928 . . . . 0.0 109.688 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.7 mp -75.97 119.59 77.86 Favored Pre-proline 0 N--CA 1.494 1.738 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -56.18 135.95 72.66 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 CA-C-N 119.903 1.001 . . . . 0.0 109.79 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -64.25 -31.71 73.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.356 -0.84 . . . . 0.0 109.714 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.15 -38.15 95.13 Favored Glycine 0 N--CA 1.502 3.044 0 C-N-CA 119.571 -1.3 . . . . 0.0 110.112 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.27 -52.06 11.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.859 -1.377 . . . . 0.0 109.965 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.6 m -60.95 -35.16 76.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.129 -0.982 . . . . 0.0 109.649 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -69.86 -42.14 73.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.207 -0.933 . . . . 0.0 109.328 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.21 -11.71 54.3 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.846 -1.159 . . . . 0.0 109.528 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 129.9 41.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.779 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 0.6 OUTLIER -80.38 171.82 14.57 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.345 -0.847 . . . . 0.0 108.775 179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -56.52 -45.38 81.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.007 -1.058 . . . . 0.0 109.735 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.31 -52.64 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.056 -1.028 . . . . 0.0 108.986 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.63 -35.87 71.06 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 109.671 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.7 tp -55.33 -49.54 71.95 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.148 -0.97 . . . . 0.0 109.627 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -29.06 69.24 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.155 -0.966 . . . . 0.0 110.007 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.1 m -71.73 -34.34 69.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.972 -1.08 . . . . 0.0 110.032 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.43 -34.8 70.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.05 -1.031 . . . . 0.0 108.598 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 ttm -67.59 -40.67 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.332 -0.855 . . . . 0.0 109.65 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.0 -35.56 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 120.743 -1.223 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.82 -51.07 12.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.764 -1.21 . . . . 0.0 111.834 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.3 -41.91 38.92 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.543 -1.348 . . . . 0.0 112.371 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -92.69 -27.45 17.26 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 120.267 -1.52 . . . . 0.0 110.478 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.07 164.06 31.09 Favored Glycine 0 N--CA 1.503 3.16 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -70.02 -34.49 73.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 0.0 110.339 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.71 -53.24 19.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.035 -1.041 . . . . 0.0 110.424 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -72.23 -37.83 69.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.972 -1.08 . . . . 0.0 110.431 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.51 -49.72 66.94 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.746 -1.221 . . . . 0.0 109.854 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -59.99 -39.91 87.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 108.656 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.4 72.56 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.219 -0.926 . . . . 0.0 109.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 58.2 mmm -76.21 -34.37 59.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.128 -0.983 . . . . 0.0 109.072 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.503 ' O ' ' CD2' ' A' ' 73' ' ' PHE . . . -65.14 -41.45 94.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.21 -0.931 . . . . 0.0 110.094 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 71' ' ' TRP . 35.2 m -76.71 -41.57 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 120.647 -1.283 . . . . 0.0 110.317 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.422 ' N ' HG23 ' A' ' 70' ' ' VAL . 86.4 t90 -73.23 -30.24 63.34 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.061 -1.025 . . . . 0.0 111.296 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 73' ' ' PHE . 17.9 tt -72.07 -45.62 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 120.515 -1.366 . . . . 0.0 109.783 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 69' ' ' ALA . 20.0 m-85 -56.82 -46.48 81.62 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.545 -1.347 . . . . 0.0 109.492 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.04 -28.03 55.71 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.775 -1.203 . . . . 0.0 110.081 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.67 -46.68 81.38 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.081 -1.012 . . . . 0.0 109.986 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 76' ' ' ILE . 12.9 pt -79.88 19.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.098 -1.002 . . . . 0.0 109.428 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 54.45 24.89 5.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.715 -0.616 . . . . 0.0 111.171 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -92.53 50.63 1.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.002 -1.061 . . . . 0.0 108.341 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 79' ' ' ARG . 24.8 ttt-85 -55.18 -27.72 47.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.829 -0.544 . . . . 0.0 111.527 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -52.36 -46.56 66.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.697 -1.252 . . . . 0.0 110.876 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.78 -26.26 66.01 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.793 -1.192 . . . . 0.0 109.595 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -62.48 -33.75 75.46 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.508 -1.37 . . . . 0.0 108.787 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -72.65 -41.52 65.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.24 -0.913 . . . . 0.0 109.868 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -74.22 -52.81 11.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.974 -1.079 . . . . 0.0 110.099 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.68 -29.02 36.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.108 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -67.93 -27.53 66.7 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -79.81 -28.9 40.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.969 -1.082 . . . . 0.0 109.969 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -90.23 -2.78 58.07 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.06 -1.025 . . . . 0.0 109.739 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.2 pt-20 -55.74 120.05 29.86 Favored Pre-proline 0 N--CA 1.498 1.956 0 O-C-N 121.184 -0.948 . . . . 0.0 108.999 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.74 151.48 83.61 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 N-CA-C 109.537 -0.986 . . . . 0.0 109.537 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.7 tttm . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.843 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ttt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.51 107.07 0.77 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -72.55 132.01 43.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 109.583 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.64 -25.64 57.06 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.251 -0.906 . . . . 0.0 109.237 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -61.46 -39.4 90.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.664 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -70.49 -40.63 73.48 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.318 -0.864 . . . . 0.0 109.927 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.77 -51.84 30.49 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.157 -0.965 . . . . 0.0 109.945 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.56 -38.58 75.03 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.133 -0.979 . . . . 0.0 109.057 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.95 -27.82 63.04 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.153 -0.967 . . . . 0.0 109.492 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -69.98 -33.17 71.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.406 -0.809 . . . . 0.0 110.048 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -74.66 -53.64 8.92 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.058 -1.027 . . . . 0.0 109.631 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.27 -26.04 62.48 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.022 -1.049 . . . . 0.0 108.897 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -81.44 -22.18 38.35 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.168 -0.958 . . . . 0.0 108.962 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.03 -2.26 20.49 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.22 -0.925 . . . . 0.0 109.895 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.68 150.85 22.16 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -68.08 160.06 29.66 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.809 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.21 -47.51 85.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 0.0 109.938 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.64 -39.1 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.1 -1.0 . . . . 0.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -72.36 -29.13 63.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.7 tp -67.62 -37.17 82.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.029 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 21' ' ' LYS . 7.8 mtpm? -69.83 -32.94 71.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.353 -0.842 . . . . 0.0 110.074 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 9.9 mtpm? -70.09 -28.38 65.37 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.056 -1.028 . . . . 0.0 109.175 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 72' ' ' ILE . 37.8 t80 -70.66 -39.35 73.65 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.997 -1.064 . . . . 0.0 109.379 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HZ3' HD13 ' A' ' 52' ' ' LEU . 51.0 mmtt -65.7 -50.02 66.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.096 -1.002 . . . . 0.0 109.483 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.5 ttm -65.57 -34.66 78.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.862 . . . . 0.0 109.963 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -69.19 -31.01 69.33 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.178 -0.951 . . . . 0.0 109.41 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.3 tp -73.05 -32.24 64.94 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.082 -1.011 . . . . 0.0 109.264 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 30' ' ' TYR . 96.7 mt-10 -70.73 -30.55 67.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.301 -0.874 . . . . 0.0 109.752 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -74.41 35.98 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.255 -0.903 . . . . 0.0 109.619 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.446 ' H ' ' C ' ' A' ' 28' ' ' GLU . 25.2 t80 -71.84 120.11 78.16 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 108.517 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -61.92 166.67 11.82 Favored 'Trans proline' 0 CA--C 1.551 1.352 0 CA-C-N 119.912 1.004 . . . . 0.0 109.796 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -64.15 136.32 51.34 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 121.211 1.274 . . . . 0.0 109.595 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -111.83 -12.27 13.83 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 50.42 39.98 21.91 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.216 -0.928 . . . . 0.0 109.601 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.3 45.96 0.03 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -167.84 151.33 6.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -1.151 . . . . 0.0 109.171 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 37' ' ' ILE . 5.3 mp -84.32 113.85 51.09 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.31 141.0 85.95 Favored 'Trans proline' 0 C--O 1.214 -0.688 0 CA-C-N 120.145 1.088 . . . . 0.0 109.378 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.4 mt -80.35 118.74 73.84 Favored Pre-proline 0 N--CA 1.495 1.781 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -55.46 140.67 82.95 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 119.811 0.968 . . . . 0.0 109.821 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.54 -44.95 89.2 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.403 -0.811 . . . . 0.0 110.009 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.31 -25.04 53.85 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.772 -1.204 . . . . 0.0 110.55 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.8 -52.51 11.23 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.809 -1.407 . . . . 0.0 110.363 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -64.22 -34.27 77.72 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.864 -1.147 . . . . 0.0 109.967 -178.698 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.48 -40.37 77.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.778 -1.201 . . . . 0.0 109.443 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.35 -16.23 46.88 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.833 -1.167 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.35 129.42 39.77 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.006 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.485 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 16.8 m-20 -80.36 165.4 22.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.257 -0.902 . . . . 0.0 108.945 179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 10.2 p-80 -56.89 -31.96 65.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.181 -0.95 . . . . 0.0 110.442 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.22 -53.15 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.093 -1.004 . . . . 0.0 110.332 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 2.6 p30 -69.44 -34.35 74.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.989 -1.07 . . . . 0.0 109.769 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 11.7 tp -55.01 -51.23 66.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.906 -1.121 . . . . 0.0 109.625 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -29.08 70.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.177 -0.952 . . . . 0.0 109.965 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.6 m -75.51 -37.23 60.26 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.861 . . . . 0.0 110.646 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.17 -34.19 68.28 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.883 -1.136 . . . . 0.0 109.104 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.6 ttt -65.38 -42.5 92.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.224 -0.923 . . . . 0.0 110.278 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.41 -40.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.464 0 O-C-N 120.682 -1.261 . . . . 0.0 110.481 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -75.72 -51.2 13.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.061 -1.024 . . . . 0.0 111.481 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -75.55 -41.27 55.3 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.965 -1.085 . . . . 0.0 111.914 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -92.63 -27.31 17.39 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 120.687 -1.258 . . . . 0.0 109.659 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.24 142.89 8.45 Favored Glycine 0 N--CA 1.505 3.275 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.92 -40.38 97.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -1.134 . . . . 0.0 109.256 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.43 -52.8 16.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.151 -0.968 . . . . 0.0 109.903 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -62.88 -38.33 90.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 109.877 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.52 -53.24 57.05 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.964 -1.085 . . . . 0.0 110.037 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 38.2 m95 -53.95 -40.13 66.54 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.021 -1.049 . . . . 0.0 109.447 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.85 83.85 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 48.9 mmm -75.93 -32.43 59.57 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.087 -1.008 . . . . 0.0 109.035 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CD1' ' A' ' 73' ' ' PHE . . . -69.16 -43.46 74.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.307 -0.87 . . . . 0.0 110.401 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 71' ' ' TRP . 23.6 m -75.65 -43.67 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.044 -1.035 . . . . 0.0 110.546 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.491 ' N ' HG23 ' A' ' 70' ' ' VAL . 71.7 t90 -66.02 -32.76 74.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.944 -1.097 . . . . 0.0 109.956 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.41 HG21 ' CE2' ' A' ' 23' ' ' PHE . 5.2 mm -72.48 -34.12 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 120.654 -1.279 . . . . 0.0 108.688 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 69' ' ' ALA . 3.4 m-30 -57.35 -47.51 81.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.805 -1.184 . . . . 0.0 109.793 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.96 68.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.937 -1.102 . . . . 0.0 109.681 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -67.26 -40.9 86.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 0.0 110.423 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -70.67 5.25 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.015 -1.053 . . . . 0.0 109.012 -179.305 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.496 ' CG ' HH22 ' A' ' 79' ' ' ARG . 4.2 t30 62.87 47.71 4.35 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.557 -0.714 . . . . 0.0 109.66 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 78' ' ' ARG . 15.9 mtt-85 -135.1 50.89 2.12 Favored 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.496 HH22 ' CG ' ' A' ' 77' ' ' ASN . 0.4 OUTLIER -54.4 -28.82 46.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.241 -0.912 . . . . 0.0 110.51 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.19 -46.53 72.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -26.63 68.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.623 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.09 -34.43 71.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.694 -1.254 . . . . 0.0 108.882 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.0 -41.42 98.03 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.2 -0.937 . . . . 0.0 108.758 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -74.8 -48.34 25.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.386 -0.821 . . . . 0.0 109.408 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.77 -33.64 56.5 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.278 -0.889 . . . . 0.0 109.428 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -67.74 -27.43 66.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -79.41 -29.92 42.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.898 -1.126 . . . . 0.0 109.964 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -94.65 -4.18 48.11 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.225 -0.922 . . . . 0.0 109.799 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -54.87 109.32 1.51 Allowed Pre-proline 0 N--CA 1.503 2.216 0 CA-C-O 118.497 -0.763 . . . . 0.0 109.514 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.27 157.15 59.28 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 N-CA-C 109.325 -1.067 . . . . 0.0 109.325 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 pttp . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.25 -179.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.16 138.2 58.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -69.91 142.75 52.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.334 -0.854 . . . . 0.0 109.233 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 m -68.29 -28.62 67.34 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.224 -0.923 . . . . 0.0 109.219 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -54.18 -42.49 69.73 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.223 -0.923 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -67.84 -25.37 65.52 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.355 -0.841 . . . . 0.0 109.266 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -73.68 -46.3 47.26 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.333 -0.854 . . . . 0.0 110.043 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -70.04 -33.59 72.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.075 -1.016 . . . . 0.0 109.779 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.56 94.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.145 -0.972 . . . . 0.0 109.681 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.54 -32.94 74.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.91 -55.05 29.41 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.191 -0.943 . . . . 0.0 109.621 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.64 -26.2 61.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.978 -1.076 . . . . 0.0 108.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -81.34 -29.51 34.1 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.127 -0.983 . . . . 0.0 109.052 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -68.01 1.01 2.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.158 -0.963 . . . . 0.0 109.725 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.2 158.77 15.94 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -65.37 162.59 17.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.388 -0.82 . . . . 0.0 109.884 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.07 -47.56 70.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.323 -0.861 . . . . 0.0 110.093 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.23 -40.0 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.953 -1.092 . . . . 0.0 109.155 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -63.28 -29.46 70.78 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.001 -1.062 . . . . 0.0 108.614 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.79 -31.33 71.89 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -65.38 -37.45 87.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.654 -0.654 . . . . 0.0 109.651 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -70.39 -28.13 64.85 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.072 -1.017 . . . . 0.0 109.617 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -67.84 -42.59 81.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.835 -1.166 . . . . 0.0 109.678 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -72.36 -47.8 46.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.049 -1.032 . . . . 0.0 109.613 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.75 -35.35 68.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 109.465 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.57 -41.86 75.26 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.218 -0.927 . . . . 0.0 109.462 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -74.34 -31.71 62.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.179 -0.951 . . . . 0.0 108.817 -179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.88 -14.45 59.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.357 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -141.15 60.01 1.51 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.367 -0.833 . . . . 0.0 108.946 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -65.5 136.04 96.03 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -64.38 122.76 10.79 Favored 'Trans proline' 0 CA--C 1.559 1.758 0 N-CA-C 109.06 -1.169 . . . . 0.0 109.06 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -66.23 133.04 31.47 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 N-CA-C 109.258 -1.093 . . . . 0.0 109.258 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -95.64 -44.89 7.27 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.318 -0.864 . . . . 0.0 109.464 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -168.47 38.92 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.51 41.0 0.64 Allowed Glycine 0 N--CA 1.507 3.391 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.15 151.12 45.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.138 -1.213 . . . . 0.0 109.287 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.0 mt -93.63 110.84 49.66 Favored Pre-proline 0 N--CA 1.504 2.252 0 CA-C-O 118.32 -0.848 . . . . 0.0 108.724 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -67.85 137.65 42.25 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 CA-C-N 120.099 1.071 . . . . 0.0 109.519 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -75.56 125.13 88.98 Favored Pre-proline 0 N--CA 1.494 1.774 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -51.55 134.82 47.18 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 120.061 1.057 . . . . 0.0 109.888 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.468 HH11 ' CG ' ' A' ' 41' ' ' ARG . 8.4 mtt-85 -63.97 -32.0 73.39 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.988 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.66 -37.75 94.78 Favored Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.717 -1.23 . . . . 0.0 110.305 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.72 -51.82 11.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.719 -1.46 . . . . 0.0 109.893 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.0 m -56.89 -46.5 81.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.295 -0.878 . . . . 0.0 110.474 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -69.33 -43.66 73.27 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.844 -1.16 . . . . 0.0 109.583 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -73.62 -17.29 61.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.973 -1.079 . . . . 0.0 109.665 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.42 133.52 55.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.052 -1.03 . . . . 0.0 109.535 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -80.32 168.07 19.48 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.277 -0.889 . . . . 0.0 109.084 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -53.22 -49.51 66.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.213 -0.929 . . . . 0.0 109.824 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.38 -46.25 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.029 -1.045 . . . . 0.0 108.743 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.11 -34.76 73.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 0.0 109.462 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -55.0 -52.04 64.37 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.108 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.79 -28.64 70.13 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.075 -1.016 . . . . 0.0 109.709 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 82.3 m -72.7 -33.1 66.26 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.151 -0.968 . . . . 0.0 110.261 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.19 -34.03 70.51 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.83 -1.169 . . . . 0.0 108.718 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 71.5 mtp -67.15 -40.53 86.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.198 -0.939 . . . . 0.0 109.389 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.5 -41.27 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.07 -1.019 . . . . 0.0 110.411 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.67 -41.23 46.34 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.671 -1.268 . . . . 0.0 111.416 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.83 -41.75 67.81 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.047 -1.033 . . . . 0.0 112.295 -177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -107.38 -27.54 10.4 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 120.999 -1.063 . . . . 0.0 111.184 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.07 167.93 22.24 Favored Glycine 0 N--CA 1.507 3.429 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -71.04 -35.74 72.08 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.081 -1.247 . . . . 0.0 110.623 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -71.69 -53.08 14.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.009 -1.057 . . . . 0.0 110.299 -178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -67.18 -38.52 85.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.099 -1.001 . . . . 0.0 109.788 -178.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.72 -49.01 69.05 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.931 -1.106 . . . . 0.0 110.061 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -58.86 -47.8 83.61 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.079 -1.013 . . . . 0.0 109.044 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.31 -36.54 66.31 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.059 -1.025 . . . . 0.0 109.724 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 36.6 mmm -76.21 -33.95 59.26 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.314 -0.866 . . . . 0.0 109.134 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.412 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.4 -37.94 83.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.013 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -75.97 -55.16 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.182 -0.948 . . . . 0.0 110.398 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.8 -29.75 55.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 110.819 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.77 -41.94 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.346 0 O-C-N 120.605 -1.309 . . . . 0.0 109.912 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 6.6 m-85 -57.37 -47.13 82.46 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.269 -1.519 . . . . 0.0 109.719 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.93 -28.21 67.42 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.619 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.37 78.36 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.092 -1.005 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.436 HD12 ' HE ' ' A' ' 78' ' ' ARG . 17.4 pt -85.96 18.94 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.124 -0.985 . . . . 0.0 109.634 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 t30 58.88 77.97 0.28 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.58 -0.7 . . . . 0.0 110.604 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HE ' HD12 ' A' ' 76' ' ' ILE . 35.4 mtt-85 -154.01 36.04 0.44 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -48.05 -29.22 3.35 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.469 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.16 -29.2 63.44 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.966 -1.084 . . . . 0.0 109.324 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.2 tp -72.11 -26.23 62.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -71.96 -34.74 69.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.722 -1.236 . . . . 0.0 108.573 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -66.42 -44.33 83.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.958 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.91 -36.8 62.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.124 -0.985 . . . . 0.0 109.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.25 69.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -70.37 -27.63 64.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.244 -0.91 . . . . 0.0 109.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.03 -30.48 28.05 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.838 -1.164 . . . . 0.0 110.17 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -92.92 -2.93 55.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.129 -0.982 . . . . 0.0 109.475 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.8 pt-20 -56.03 122.72 49.46 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.218 -0.926 . . . . 0.0 109.113 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -62.2 153.35 70.35 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 N-CA-C 109.482 -1.007 . . . . 0.0 109.482 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.311 179.842 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.41 97.26 0.69 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.33 -0.856 . . . . 0.0 109.349 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -73.98 144.45 45.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -69.44 -14.24 62.78 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.306 -0.871 . . . . 0.0 109.022 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -57.41 -47.73 80.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.235 -0.916 . . . . 0.0 109.746 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.5 p -70.69 -30.9 67.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.096 -1.003 . . . . 0.0 109.684 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.56 -46.34 69.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.973 . . . . 0.0 110.022 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.35 -37.39 80.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.151 -0.968 . . . . 0.0 109.521 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.62 74.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.168 -0.958 . . . . 0.0 108.897 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 10' ' ' ARG . 3.7 ttt-85 -59.18 -33.55 71.08 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.474 -0.766 . . . . 0.0 109.62 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.56 -53.8 7.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.063 -1.023 . . . . 0.0 110.21 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -63.73 -26.47 68.66 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.032 -1.043 . . . . 0.0 109.276 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -81.12 -26.78 35.9 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.341 -0.85 . . . . 0.0 109.09 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -74.13 -2.72 25.77 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.1 mt -87.19 161.23 18.17 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.72 -1.238 . . . . 0.0 109.441 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -70.32 161.35 30.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.473 -0.767 . . . . 0.0 109.83 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.44 -47.38 85.97 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.412 -0.805 . . . . 0.0 110.111 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.14 -38.61 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.475 ' OD2' ' NH1' ' A' ' 78' ' ' ARG . 35.8 t0 -72.7 -29.43 63.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.078 . . . . 0.0 109.877 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.05 -36.28 79.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.979 -1.076 . . . . 0.0 108.688 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -72.42 -42.31 65.23 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -62.98 -48.83 77.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.286 -0.883 . . . . 0.0 109.24 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CE2' HG21 ' A' ' 72' ' ' ILE . 28.8 t80 -57.04 -38.01 72.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.336 -0.852 . . . . 0.0 109.379 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -72.07 -41.41 67.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.514 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.59 -42.22 87.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 0.0 110.085 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -70.21 -31.31 68.69 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.993 -1.067 . . . . 0.0 109.702 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.28 -52.35 19.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.994 -1.066 . . . . 0.0 110.013 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' CD ' HH12 ' A' ' 41' ' ' ARG . 2.4 pp20? -67.53 -34.04 76.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.922 -1.111 . . . . 0.0 109.61 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 24.8 t0 -74.5 12.56 0.76 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -59.97 118.93 36.93 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.14 -0.975 . . . . 0.0 108.557 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -69.98 145.89 57.2 Favored 'Trans proline' 0 CA--C 1.555 1.551 0 N-CA-C 109.198 -1.116 . . . . 0.0 109.198 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.63 152.41 81.81 Favored 'Trans proline' 0 N--CA 1.48 0.691 0 N-CA-C 109.141 -1.138 . . . . 0.0 109.141 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -111.59 -44.51 3.49 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.03 74.11 0.29 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.311 -0.868 . . . . 0.0 109.444 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.21 8.02 87.58 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.3 150.65 25.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -1.172 . . . . 0.0 109.444 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 tt -99.75 107.48 46.33 Favored Pre-proline 0 N--CA 1.504 2.233 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.38 155.13 63.97 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 N-CA-C 109.561 -0.976 . . . . 0.0 109.561 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.6 mp -71.64 120.14 78.2 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -52.86 133.94 52.93 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 119.891 0.997 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.494 HH12 ' CD ' ' A' ' 28' ' ' GLU . 23.6 ttm-85 -64.39 -35.49 81.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.389 -0.82 . . . . 0.0 109.855 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.99 -38.95 96.09 Favored Glycine 0 N--CA 1.504 3.214 0 C-N-CA 119.705 -1.236 . . . . 0.0 110.334 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -74.9 -49.28 20.84 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.853 -1.381 . . . . 0.0 109.87 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.8 m -64.79 -36.43 84.29 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.223 -0.923 . . . . 0.0 109.854 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -68.29 -42.86 78.9 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.973 -1.079 . . . . 0.0 108.982 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -78.85 -15.93 57.74 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.938 -1.101 . . . . 0.0 109.2 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.27 128.19 35.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.233 -0.917 . . . . 0.0 109.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.32 171.42 15.09 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.213 -0.929 . . . . 0.0 108.897 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -54.74 -42.83 72.09 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.043 -1.036 . . . . 0.0 109.808 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.9 t -69.69 -52.48 31.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.013 -1.055 . . . . 0.0 108.827 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -56.89 -38.26 72.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.02 -46.13 71.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 0.0 109.436 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -28.57 69.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.193 -0.942 . . . . 0.0 109.632 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -71.58 -38.97 70.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.181 -0.949 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.1 mp -71.46 -35.9 71.03 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.733 -1.229 . . . . 0.0 109.213 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.1 mtp -71.47 -43.24 66.98 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.086 -1.009 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.6 mt -77.67 -38.78 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 120.79 -1.194 . . . . 0.0 110.143 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -76.97 -48.59 17.64 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 111.673 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.39 -41.63 17.94 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.906 -1.121 . . . . 0.0 112.571 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -92.68 -27.45 17.26 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.576 -1.328 . . . . 0.0 110.158 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.53 161.59 29.1 Favored Glycine 0 N--CA 1.502 3.076 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.72 -34.2 71.66 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.461 -1.023 . . . . 0.0 110.323 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.28 -52.79 20.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.093 -1.004 . . . . 0.0 110.536 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.26 -40.05 64.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.933 -1.104 . . . . 0.0 110.247 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.21 -43.6 67.36 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.854 -1.153 . . . . 0.0 110.005 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -64.38 -46.7 82.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.03 -1.044 . . . . 0.0 108.636 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.9 -41.63 64.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.138 -0.977 . . . . 0.0 109.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.9 tpp -70.85 -32.55 69.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.136 -0.977 . . . . 0.0 109.249 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' O ' ' CE2' ' A' ' 73' ' ' PHE . . . -67.54 -34.44 77.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.373 -0.83 . . . . 0.0 110.27 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -76.01 -55.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.058 -1.026 . . . . 0.0 110.577 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -55.23 -30.0 59.14 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.237 -0.914 . . . . 0.0 110.933 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG21 ' CE2' ' A' ' 23' ' ' PHE . 52.1 mt -73.2 -40.7 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 O-C-N 120.543 -1.348 . . . . 0.0 109.965 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 69' ' ' ALA . 10.3 m-85 -56.76 -46.91 81.13 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.231 -1.543 . . . . 0.0 109.689 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -27.91 63.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.84 63.43 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 110.348 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 76' ' ' ILE . 18.2 pt -85.9 19.32 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 120.996 -1.065 . . . . 0.0 109.683 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.3 m120 53.56 81.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.545 -0.722 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' NH1' ' OD2' ' A' ' 19' ' ' ASP . 90.0 mtt180 -156.62 35.99 0.31 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -47.43 -28.84 2.31 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.553 -0.717 . . . . 0.0 110.549 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -57.0 -32.45 66.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 tp -69.21 -26.23 64.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.394 -0.816 . . . . 0.0 109.642 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -73.28 -34.11 65.6 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.803 -1.186 . . . . 0.0 108.696 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -65.58 -43.5 89.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.267 -0.896 . . . . 0.0 109.853 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -75.83 -35.9 59.83 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.914 -1.116 . . . . 0.0 109.888 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.07 70.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.239 -0.913 . . . . 0.0 110.386 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -65.84 -28.31 68.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.93 -1.106 . . . . 0.0 108.983 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -73.86 -27.67 61.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.125 -0.984 . . . . 0.0 109.917 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -97.22 -9.34 27.93 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.19 -0.944 . . . . 0.0 110.05 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.32 109.89 1.89 Allowed Pre-proline 0 N--CA 1.504 2.247 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.531 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.35 159.31 48.02 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 109.174 -1.125 . . . . 0.0 109.174 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.5 tttm . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.7 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.96 97.48 0.23 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 0.0 109.49 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -69.88 160.97 30.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.237 -0.914 . . . . 0.0 109.201 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -68.73 -38.29 80.06 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.122 -0.986 . . . . 0.0 108.837 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -56.76 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.8 m -59.34 -32.89 70.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.358 -0.839 . . . . 0.0 109.211 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.76 -47.17 63.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.703 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -63.6 -33.09 74.84 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.003 -1.06 . . . . 0.0 109.656 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.15 95.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.165 -0.96 . . . . 0.0 110.082 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.66 -32.98 71.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.141 -0.974 . . . . 0.0 109.684 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.37 -46.67 63.6 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.214 -0.929 . . . . 0.0 109.463 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.38 -26.06 62.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 109.095 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.43 -28.01 34.44 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.187 -0.945 . . . . 0.0 110.409 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 p30 -61.91 -13.74 27.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.908 -1.12 . . . . 0.0 109.913 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.18 -178.46 3.91 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -91.64 160.21 15.5 Favored 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.17 -47.63 82.81 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.64 -39.74 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.091 -1.005 . . . . 0.0 109.35 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.82 -29.04 68.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.072 -1.017 . . . . 0.0 108.838 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -64.93 -31.58 72.88 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -74.64 -43.47 55.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.285 -0.885 . . . . 0.0 110.834 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 28.2 mtmm -67.23 -28.07 67.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.863 -1.148 . . . . 0.0 109.852 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.81 -47.07 61.42 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.867 -1.146 . . . . 0.0 109.744 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -68.05 -40.62 82.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.973 -1.079 . . . . 0.0 109.537 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.6 tpt -56.06 -33.93 65.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 109.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -66.92 -47.25 72.31 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.293 -0.879 . . . . 0.0 109.31 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.89 -31.05 62.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.46 -14.54 57.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.0 109.322 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -152.57 55.82 0.8 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.025 -1.047 . . . . 0.0 109.644 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -76.24 136.51 68.85 Favored Pre-proline 0 N--CA 1.495 1.822 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -63.97 145.46 90.01 Favored 'Trans proline' 0 CA--C 1.556 1.577 0 N-CA-C 109.251 -1.096 . . . . 0.0 109.251 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.04 147.37 88.83 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 N-CA-C 109.21 -1.111 . . . . 0.0 109.21 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -111.44 -44.69 3.49 Favored 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.627 -0.671 . . . . 0.0 109.19 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -162.83 55.42 0.2 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.376 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.87 18.25 60.06 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.8 t -58.79 150.81 22.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -1.073 . . . . 0.0 109.36 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.6 mt -89.95 112.6 53.18 Favored Pre-proline 0 N--CA 1.503 2.185 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -63.53 138.37 64.65 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 CA-C-N 120.057 1.056 . . . . 0.0 109.434 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.9 mp -71.62 120.19 78.46 Favored Pre-proline 0 N--CA 1.491 1.619 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -54.3 133.87 58.1 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 CA-C-N 119.933 1.012 . . . . 0.0 109.873 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -63.48 -31.86 73.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.366 -0.834 . . . . 0.0 109.498 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 -38.9 93.48 Favored Glycine 0 N--CA 1.504 3.207 0 C-N-CA 119.589 -1.291 . . . . 0.0 109.878 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -75.78 -33.29 60.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.833 -1.392 . . . . 0.0 109.654 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 m -75.17 -48.51 23.25 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.299 -0.876 . . . . 0.0 110.624 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.0 -41.85 83.97 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.782 -1.199 . . . . 0.0 109.503 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.51 -17.07 61.77 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.994 -1.066 . . . . 0.0 109.526 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 126.5 29.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.117 -0.989 . . . . 0.0 109.689 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.49 170.35 16.48 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.324 -0.86 . . . . 0.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -50.36 -47.53 56.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.196 -0.94 . . . . 0.0 110.833 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.24 -37.37 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 120.965 -1.084 . . . . 0.0 109.27 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -71.63 -38.23 70.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.203 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -55.87 -51.19 68.42 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.793 -1.192 . . . . 0.0 109.211 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.78 70.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.143 -0.973 . . . . 0.0 109.555 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.0 m -72.13 -33.64 67.95 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.283 -0.886 . . . . 0.0 110.227 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.2 mt -72.2 -34.11 68.14 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.0 -1.062 . . . . 0.0 109.237 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mtp -65.87 -43.17 89.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.266 -0.896 . . . . 0.0 110.113 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.8 pt -79.24 -40.21 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.438 0 O-C-N 120.868 -1.145 . . . . 0.0 110.59 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.0 -42.46 48.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.026 -1.046 . . . . 0.0 111.339 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -77.63 -42.46 34.82 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.853 -1.154 . . . . 0.0 111.891 -177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -97.91 -27.05 14.45 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.885 -1.134 . . . . 0.0 110.114 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.49 156.58 10.24 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.84 -44.12 81.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.272 -1.134 . . . . 0.0 109.549 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 21.3 mp0 -71.59 -47.52 54.26 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.167 -0.958 . . . . 0.0 110.135 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -59.79 -38.07 80.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.034 . . . . 0.0 109.998 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.93 99.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.025 -1.047 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -60.14 -36.1 76.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.923 -1.111 . . . . 0.0 109.611 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.03 82.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.988 -1.07 . . . . 0.0 110.112 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 79.8 mtp -76.11 -32.18 59.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.055 -1.028 . . . . 0.0 108.993 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -43.64 83.95 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.495 -0.753 . . . . 0.0 110.523 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 71' ' ' TRP . 30.2 m -75.66 -39.75 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.035 -1.04 . . . . 0.0 110.514 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.432 ' N ' HG23 ' A' ' 70' ' ' VAL . 84.0 t90 -67.72 -30.13 69.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.01 -1.056 . . . . 0.0 110.349 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.1 mt -73.03 -41.41 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.704 -1.248 . . . . 0.0 109.644 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -56.9 -46.98 81.56 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.375 -1.453 . . . . 0.0 109.701 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.96 68.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.921 -1.112 . . . . 0.0 109.675 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.78 70.77 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.159 -0.963 . . . . 0.0 110.428 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 pt -79.11 19.76 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.056 -1.027 . . . . 0.0 109.774 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.8 m120 57.9 65.32 1.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.68 -0.638 . . . . 0.0 110.431 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.482 HH21 ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -138.58 47.28 1.97 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.633 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 79' ' ' ARG . 2.1 mmt-85 -46.66 -28.54 1.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.658 -0.651 . . . . 0.0 110.952 -179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.482 ' CG ' HH21 ' A' ' 78' ' ' ARG . 13.5 p-10 -53.37 -35.03 59.85 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.932 -1.105 . . . . 0.0 109.899 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.02 -26.12 62.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.156 -0.965 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -68.01 -34.43 76.49 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.798 -1.189 . . . . 0.0 109.572 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.17 -45.63 55.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.081 -1.012 . . . . 0.0 110.088 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -74.73 -52.06 12.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.052 -1.03 . . . . 0.0 110.177 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.66 -42.17 67.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.01 -27.66 63.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.957 . . . . 0.0 109.734 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -88.14 -27.21 22.04 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.897 -1.127 . . . . 0.0 110.501 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -96.19 -2.62 45.9 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.197 -0.939 . . . . 0.0 110.132 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.56 122.92 48.0 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 120.912 -1.117 . . . . 0.0 109.051 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -63.78 148.34 92.04 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.7 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.5 111.09 0.9 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.238 -0.913 . . . . 0.0 109.427 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -69.83 144.52 52.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.297 -0.877 . . . . 0.0 109.157 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -34.2 73.47 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.22 -0.925 . . . . 0.0 108.821 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 5' ' ' ARG . 8.5 mtt-85 -55.59 -39.68 71.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.604 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.06 -27.26 67.96 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.317 -0.864 . . . . 0.0 109.445 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' NZ ' HH11 ' A' ' 10' ' ' ARG . 8.9 mmpt? -70.81 -52.09 22.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 8' ' ' LEU . 11.2 mp -54.88 -33.34 61.85 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.07 72.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.136 -0.978 . . . . 0.0 109.364 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.502 HH11 ' NZ ' ' A' ' 7' ' ' LYS . 55.5 mtp180 -74.44 -33.33 62.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 109.993 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -75.51 -54.38 7.1 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.002 -1.061 . . . . 0.0 110.234 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.18 -26.29 64.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 108.919 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -81.78 -28.1 33.39 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.125 -0.985 . . . . 0.0 109.358 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -66.84 -1.61 4.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.003 -1.061 . . . . 0.0 109.839 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt -99.35 156.11 17.17 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 121.247 -0.908 . . . . 0.0 109.335 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.42 159.28 27.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.334 -0.854 . . . . 0.0 109.55 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -47.39 82.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 109.848 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -59.58 -39.5 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.018 -1.051 . . . . 0.0 109.41 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' NH2' ' A' ' 78' ' ' ARG . 7.1 t70 -66.15 -29.5 69.81 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.068 -1.02 . . . . 0.0 109.116 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.02 -39.48 94.2 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.224 -0.923 . . . . 0.0 108.726 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -61.16 -40.36 93.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.539 -0.726 . . . . 0.0 109.679 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.1 -30.88 71.32 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.34 -42.57 87.94 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.883 -1.135 . . . . 0.0 109.411 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.35 -49.09 45.86 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.009 -1.057 . . . . 0.0 108.592 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.5 ttt -55.79 -33.85 64.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.331 -0.856 . . . . 0.0 109.77 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -64.02 -43.88 94.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.215 -0.928 . . . . 0.0 109.354 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.7 mt -74.19 -31.95 62.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.024 -1.048 . . . . 0.0 109.255 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.43 -35.28 80.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 109.511 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -99.03 27.89 4.75 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.369 -0.832 . . . . 0.0 109.265 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -61.09 125.78 84.53 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 108.628 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -64.42 133.88 39.28 Favored 'Trans proline' 0 CA--C 1.559 1.74 0 N-CA-C 109.005 -1.19 . . . . 0.0 109.005 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -66.03 138.07 50.89 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -110.22 18.65 19.72 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.562 -0.711 . . . . 0.0 109.19 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 54.77 56.68 6.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.333 -0.855 . . . . 0.0 109.526 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.63 -46.29 0.3 Allowed Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.196 -1.562 . . . . 0.0 109.196 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.17 151.03 47.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.342 -1.093 . . . . 0.0 109.283 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.32 108.92 50.15 Favored Pre-proline 0 N--CA 1.502 2.135 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.42 137.78 62.09 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 N-CA-C 109.418 -1.031 . . . . 0.0 109.418 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.5 mp -78.86 119.8 78.56 Favored Pre-proline 0 N--CA 1.496 1.83 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.53 150.64 41.95 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 CA-C-N 119.896 0.998 . . . . 0.0 109.703 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -64.46 -43.37 94.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.26 -0.9 . . . . 0.0 109.77 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.57 -25.91 22.32 Favored Glycine 0 N--CA 1.505 3.281 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.312 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -75.1 -39.69 60.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.892 -1.358 . . . . 0.0 109.671 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.8 p -69.62 -38.51 77.25 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.183 -0.948 . . . . 0.0 110.042 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -62.68 -41.94 99.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.075 -1.016 . . . . 0.0 109.685 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -80.68 -13.32 59.11 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.728 -1.232 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.98 110.01 6.19 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.261 -0.899 . . . . 0.0 109.81 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -80.35 170.66 16.09 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.556 ' ND1' ' N ' ' A' ' 49' ' ' HIS . 2.3 p-80 -49.49 -41.32 40.31 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.012 -1.055 . . . . 0.0 110.339 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.32 -51.1 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.123 -0.986 . . . . 0.0 109.2 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -59.5 -35.8 74.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.642 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.9 tt -55.18 -52.51 63.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.264 -0.898 . . . . 0.0 109.497 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -28.82 69.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.017 -1.052 . . . . 0.0 109.865 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.5 m -74.19 -34.74 63.85 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.176 -0.953 . . . . 0.0 110.355 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.38 -34.55 70.52 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.893 -1.129 . . . . 0.0 109.077 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.9 mmm -69.39 -41.64 76.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 109.482 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.38 -40.76 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.863 -1.148 . . . . 0.0 110.289 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.34 -47.8 19.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.794 -1.191 . . . . 0.0 111.856 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -76.56 -42.35 43.11 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.879 -1.138 . . . . 0.0 112.617 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -97.13 -27.97 14.33 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.655 -1.278 . . . . 0.0 110.625 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.19 165.8 23.89 Favored Glycine 0 N--CA 1.505 3.284 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -70.82 -41.84 71.03 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.323 -1.104 . . . . 0.0 110.524 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -70.54 -44.55 67.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.895 -1.128 . . . . 0.0 111.042 -178.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 20.3 tptp -72.94 -37.86 66.99 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.78 -1.2 . . . . 0.0 109.826 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.71 73.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.061 -1.024 . . . . 0.0 109.863 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -63.51 -43.25 97.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 108.711 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.16 81.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.0 109.754 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.7 mtp -76.07 -32.62 59.36 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.258 -0.901 . . . . 0.0 109.545 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -68.5 -42.92 77.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.226 -0.921 . . . . 0.0 110.139 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -75.67 -48.92 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.198 -0.939 . . . . 0.0 110.19 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -59.17 -29.57 67.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.0 110.646 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.0 mt -72.05 -42.78 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 O-C-N 120.53 -1.356 . . . . 0.0 109.625 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 3.9 m-85 -56.35 -46.69 79.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.336 -1.477 . . . . 0.0 109.891 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.9 -27.95 67.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.908 -1.12 . . . . 0.0 109.655 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.06 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.186 -0.946 . . . . 0.0 110.283 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.418 HD12 ' HE ' ' A' ' 78' ' ' ARG . 1.7 pt -86.58 20.06 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.092 -1.005 . . . . 0.0 109.019 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 55.84 82.94 0.1 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 121.537 0.684 . . . . 0.0 110.574 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH2' ' OD2' ' A' ' 19' ' ' ASP . 53.0 mtt-85 -152.05 30.85 0.56 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -47.63 -28.53 2.4 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.519 . . . . 0.0 111.423 -179.309 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.08 -53.53 48.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.881 -1.137 . . . . 0.0 110.404 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -26.38 62.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.067 -1.021 . . . . 0.0 109.636 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.413 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -67.44 -36.25 80.82 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.688 -1.257 . . . . 0.0 107.997 179.346 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -60.45 -40.66 91.94 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 108.924 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.31 -47.25 35.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.337 -0.852 . . . . 0.0 109.329 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 88' ' ' ASP . . . -56.83 -28.61 61.8 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.965 . . . . 0.0 109.471 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -66.39 -27.15 67.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.016 -1.052 . . . . 0.0 109.398 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -80.5 -27.37 37.75 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 110.646 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -78.41 -3.03 41.24 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.798 -1.189 . . . . 0.0 109.393 -179.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.23 116.48 16.17 Favored Pre-proline 0 N--CA 1.497 1.882 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.79 143.22 99.66 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 N-CA-C 109.394 -1.041 . . . . 0.0 109.394 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 pttm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.405 179.745 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.5 146.39 50.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.565 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -69.96 133.7 47.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.102 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -69.97 -32.62 70.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.256 -0.903 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 1.6 mpt_? -55.82 -37.82 69.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.325 -0.859 . . . . 0.0 109.308 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.5 t -65.74 -30.81 71.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.363 -0.836 . . . . 0.0 109.135 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -73.77 -51.89 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.426 -0.796 . . . . 0.0 110.025 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.22 -36.14 81.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.75 -1.219 . . . . 0.0 109.424 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.66 83.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.103 -0.998 . . . . 0.0 108.76 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -57.23 -33.68 67.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.382 -0.824 . . . . 0.0 109.094 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 88' ' ' ASP . 27.9 m-85 -77.33 -55.75 5.14 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.209 -0.932 . . . . 0.0 110.482 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.73 -26.2 68.57 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.032 -1.043 . . . . 0.0 109.215 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -81.35 -24.52 37.03 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.488 -0.757 . . . . 0.0 109.959 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -82.61 -3.75 56.63 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.938 -1.101 . . . . 0.0 110.594 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 mt -86.09 165.42 16.63 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.488 -1.383 . . . . 0.0 109.272 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -65.43 149.62 49.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.433 -0.792 . . . . 0.0 109.67 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -57.2 -45.52 83.7 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.323 -0.86 . . . . 0.0 109.969 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -65.05 -33.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.077 -1.014 . . . . 0.0 108.988 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.33 -29.2 62.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.964 -1.085 . . . . 0.0 108.943 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.27 -43.39 98.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.334 -0.853 . . . . 0.0 109.087 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -67.11 -34.06 76.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.0 109.779 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -67.95 -27.77 66.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.204 -0.935 . . . . 0.0 109.221 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.403 ' CE2' HG21 ' A' ' 72' ' ' ILE . 34.9 t80 -71.09 -42.69 69.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.998 -1.064 . . . . 0.0 110.101 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.32 -46.42 55.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.922 -1.111 . . . . 0.0 109.899 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.4 ttt -56.63 -36.24 69.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.137 -0.977 . . . . 0.0 109.777 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -69.53 -40.5 76.84 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.164 -0.96 . . . . 0.0 109.536 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -74.29 -33.42 63.24 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.068 -1.02 . . . . 0.0 108.911 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.4 -35.23 80.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.045 -1.035 . . . . 0.0 109.666 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -99.58 36.86 1.69 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.242 -0.912 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -65.44 136.12 96.14 Favored Pre-proline 0 N--CA 1.491 1.615 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.72 148.88 90.35 Favored 'Trans proline' 0 CA--C 1.557 1.627 0 N-CA-C 109.32 -1.069 . . . . 0.0 109.32 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -65.01 143.09 77.65 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 N-CA-C 109.43 -1.027 . . . . 0.0 109.43 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -111.34 3.38 18.23 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.576 -0.702 . . . . 0.0 109.113 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt 53.97 66.44 1.23 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.675 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.79 -66.23 0.23 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -67.22 150.83 48.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.495 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -83.88 114.78 56.23 Favored Pre-proline 0 N--CA 1.499 2.008 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -57.36 144.24 91.89 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 CA-C-N 120.127 1.081 . . . . 0.0 109.686 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.3 mp -71.62 119.4 73.82 Favored Pre-proline 0 N--CA 1.49 1.573 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -56.15 140.71 87.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.939 1.014 . . . . 0.0 109.669 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -64.26 -31.99 73.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.56 96.51 Favored Glycine 0 N--CA 1.504 3.217 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.131 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -75.96 -44.58 39.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.716 -1.461 . . . . 0.0 109.856 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.2 m -65.61 -47.95 73.95 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.28 -0.887 . . . . 0.0 110.983 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.0 -44.37 91.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.709 -1.245 . . . . 0.0 109.631 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -74.33 -18.44 60.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.884 -1.135 . . . . 0.0 109.748 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.05 119.5 10.25 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.027 -1.045 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.34 179.68 7.56 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -54.02 -45.11 71.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.996 -1.065 . . . . 0.0 110.309 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.23 -48.98 58.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.988 -1.07 . . . . 0.0 109.378 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -37.42 85.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 110.281 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.8 mt -55.92 -51.15 68.64 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.856 -1.153 . . . . 0.0 109.137 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.32 -28.7 69.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.145 -0.972 . . . . 0.0 109.537 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 m -70.45 -37.44 74.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.305 -0.872 . . . . 0.0 110.37 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.9 mt -72.18 -35.22 68.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.009 -1.057 . . . . 0.0 109.371 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.8 tpp -64.44 -42.13 96.18 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.264 -0.898 . . . . 0.0 110.231 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.45 -37.6 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 O-C-N 120.963 -1.085 . . . . 0.0 110.63 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -75.67 -51.63 12.33 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.82 -1.175 . . . . 0.0 111.501 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -74.25 -42.61 59.41 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.734 -1.229 . . . . 0.0 111.964 -177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.48 -27.95 15.72 Favored 'General case' 0 N--CA 1.509 2.506 0 O-C-N 120.514 -1.366 . . . . 0.0 110.548 -178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.85 155.14 11.42 Favored Glycine 0 N--CA 1.506 3.309 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -69.12 -40.1 78.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.21 -1.171 . . . . 0.0 109.594 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 23.9 mp0 -71.52 -46.77 58.7 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.176 -0.952 . . . . 0.0 110.178 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -68.24 -37.66 81.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.031 -1.043 . . . . 0.0 109.317 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.51 68.95 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.965 -1.085 . . . . 0.0 109.622 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' CD1' ' A' ' 66' ' ' TRP . 36.4 m0 -61.36 -35.11 76.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.347 -0.846 . . . . 0.0 109.237 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.16 -36.49 81.93 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.295 -0.878 . . . . 0.0 109.573 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 43.9 mmm -76.12 -32.37 59.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.142 -0.974 . . . . 0.0 108.672 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -67.13 -44.24 80.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.418 -0.801 . . . . 0.0 110.619 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 71' ' ' TRP . 35.9 m -71.9 -39.34 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 120.985 -1.072 . . . . 0.0 110.414 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.409 ' N ' HG23 ' A' ' 70' ' ' VAL . 76.7 t90 -65.29 -30.1 70.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.048 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.403 HG21 ' CE2' ' A' ' 23' ' ' PHE . 5.5 mm -72.82 -38.34 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 O-C-N 120.725 -1.234 . . . . 0.0 109.217 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 4.5 m-30 -56.93 -47.15 81.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.539 -1.35 . . . . 0.0 109.955 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -27.96 68.2 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.93 -1.106 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -66.69 -46.82 74.37 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.193 -0.942 . . . . 0.0 110.471 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.53 19.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.052 -1.03 . . . . 0.0 108.743 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' H ' ' C ' ' A' ' 75' ' ' ALA . 1.9 m120 55.44 66.98 1.08 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.515 -0.741 . . . . 0.0 109.77 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 78' ' ' ARG . 24.9 mtt-85 -142.83 39.96 1.51 Allowed 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -47.64 -29.09 2.7 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.59 -0.694 . . . . 0.0 110.594 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.48 -34.09 70.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.911 -1.118 . . . . 0.0 109.295 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.69 -26.11 66.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 109.711 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.64 -37.76 67.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.763 -1.211 . . . . 0.0 108.954 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.06 -47.49 84.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.097 -1.002 . . . . 0.0 109.546 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -75.14 -49.06 20.75 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.089 -1.007 . . . . 0.0 109.963 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.14 65.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.317 -0.864 . . . . 0.0 110.323 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -54.95 -27.46 43.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.212 -0.93 . . . . 0.0 110.345 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -84.74 -15.46 45.02 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.797 -1.189 . . . . 0.0 110.786 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 t70 -95.32 -12.72 25.63 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.964 -1.085 . . . . 0.0 110.634 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -59.5 116.13 15.22 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 120.962 -1.086 . . . . 0.0 108.355 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.1 143.84 95.22 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 N-CA-C 109.317 -1.07 . . . . 0.0 109.317 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.389 179.888 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ttt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.478 0.656 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.62 122.7 11.18 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.146 -0.971 . . . . 0.0 109.82 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -70.04 144.8 52.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.488 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -70.63 -16.19 62.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.25 -51.08 71.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.381 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.7 m -66.18 -26.07 67.23 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -69.95 -48.85 56.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.0 110.031 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -60.85 -40.94 94.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.993 -1.067 . . . . 0.0 109.607 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.89 79.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.194 -0.941 . . . . 0.0 108.659 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -57.92 -33.53 68.88 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.454 -0.779 . . . . 0.0 109.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -77.74 -54.61 6.16 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.007 -1.058 . . . . 0.0 110.296 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.75 -26.9 68.93 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.884 -1.135 . . . . 0.0 108.964 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -81.69 -24.54 36.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.534 -0.729 . . . . 0.0 109.52 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -79.36 -3.48 46.47 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.037 -1.04 . . . . 0.0 110.511 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 157.12 20.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 120.572 -1.33 . . . . 0.0 109.34 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 9.2 mp0 -67.62 156.91 35.71 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.485 -0.76 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.77 -40.07 82.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 19' ' ' ASP . 14.0 p -61.07 -40.52 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.066 -1.021 . . . . 0.0 109.679 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 18' ' ' VAL . 8.0 t70 -72.96 -29.36 63.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.029 -1.044 . . . . 0.0 109.506 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.01 -36.75 77.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.144 -0.972 . . . . 0.0 109.335 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.31 -39.22 59.76 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.873 . . . . 0.0 110.163 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.0 -28.3 66.47 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.077 -1.014 . . . . 0.0 109.431 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.38 -47.85 38.76 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -70.2 -45.79 65.88 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.893 -1.129 . . . . 0.0 109.113 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.3 ttt -52.56 -33.76 47.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.29 -0.882 . . . . 0.0 109.604 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HD1' ' C ' ' A' ' 26' ' ' HIS . 2.6 t-80 -66.9 -42.47 85.45 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.364 -0.835 . . . . 0.0 109.207 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.91 -32.01 63.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.062 -1.024 . . . . 0.0 109.607 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.39 -14.21 60.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.033 . . . . 0.0 109.966 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.55 48.36 1.64 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.279 -0.888 . . . . 0.0 109.89 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 31' ' ' PRO . 78.0 t80 -76.58 119.57 77.94 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.0 108.431 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' O ' ' CD2' ' A' ' 30' ' ' TYR . 5.6 Cg_endo -65.41 162.42 33.79 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 CA-C-N 119.946 1.016 . . . . 0.0 109.46 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -66.93 133.31 30.82 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 121.13 1.22 . . . . 0.0 109.467 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -111.65 -45.69 3.34 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.525 -0.734 . . . . 0.0 109.131 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 34' ' ' LYS . 6.3 ttpm? -171.84 79.35 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.351 -0.843 . . . . 0.0 109.538 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.52 20.82 64.04 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.1 p -69.51 137.22 52.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.126 -1.22 . . . . 0.0 109.263 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 37' ' ' ILE . 16.1 tt -82.62 121.99 78.31 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.934 -1.104 . . . . 0.0 108.817 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -68.07 140.59 50.17 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 CA-C-N 119.778 0.956 . . . . 0.0 109.692 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.04 120.19 80.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -53.0 143.86 48.07 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 CA-C-N 119.951 1.018 . . . . 0.0 110.11 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -64.74 -45.77 85.06 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.189 -0.944 . . . . 0.0 109.85 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.91 -24.74 65.08 Favored Glycine 0 N--CA 1.504 3.222 0 C-N-CA 119.651 -1.262 . . . . 0.0 109.99 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -72.92 -52.07 16.09 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.037 -1.273 . . . . 0.0 110.095 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 93.4 m -76.12 -51.23 12.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.058 -1.026 . . . . 0.0 110.847 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -53.29 -44.08 68.0 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.841 -1.162 . . . . 0.0 110.586 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.13 -9.84 59.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.582 -1.323 . . . . 0.0 109.521 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 44' ' ' THR . . . -78.18 128.09 33.25 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.22 171.31 15.24 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -51.81 -49.88 61.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.019 -1.051 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.8 t -65.47 -49.06 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 120.9 -1.125 . . . . 0.0 108.969 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.14 -34.51 73.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.245 -0.909 . . . . 0.0 109.843 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.14 -51.18 65.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.897 -1.127 . . . . 0.0 109.037 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -28.75 68.97 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.164 -0.96 . . . . 0.0 110.103 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 m -76.9 -35.62 57.26 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.945 -1.097 . . . . 0.0 110.704 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.13 -34.06 68.27 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.814 -1.179 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.4 mtp -68.96 -42.17 77.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.402 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.0 mt -77.7 -39.51 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.872 -1.142 . . . . 0.0 110.233 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.99 -39.98 48.42 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.892 -1.13 . . . . 0.0 111.486 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -81.95 -42.4 19.49 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.83 -1.169 . . . . 0.0 112.326 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -94.96 -27.14 15.81 Favored 'General case' 0 N--CA 1.51 2.542 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.82 169.19 28.57 Favored Glycine 0 N--CA 1.502 3.093 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -71.07 -35.6 71.94 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.404 -1.057 . . . . 0.0 110.867 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.72 -52.76 16.14 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.027 -1.046 . . . . 0.0 110.926 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -73.23 -38.79 65.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.864 -1.147 . . . . 0.0 110.916 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.46 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.866 -1.146 . . . . 0.0 110.971 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -61.48 -35.08 76.66 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.941 -1.1 . . . . 0.0 108.786 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.26 81.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.081 -1.012 . . . . 0.0 108.966 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 56.6 mmm -76.03 -42.57 47.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.371 -0.831 . . . . 0.0 109.113 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' O ' ' CE1' ' A' ' 73' ' ' PHE . . . -56.63 -45.69 81.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 0.0 110.023 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.41 -45.28 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.154 -0.966 . . . . 0.0 110.238 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -60.98 -31.05 70.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.03 -1.044 . . . . 0.0 110.486 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.2 mt -72.87 -37.28 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.369 0 O-C-N 120.585 -1.322 . . . . 0.0 109.463 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-30 -56.85 -46.92 81.42 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.488 -1.382 . . . . 0.0 109.668 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.46 -27.98 67.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.97 -1.081 . . . . 0.0 109.868 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.33 -47.1 77.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.145 -0.972 . . . . 0.0 109.967 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.5 19.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 121.015 -1.053 . . . . 0.0 108.193 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 t30 56.67 11.37 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.541 -0.724 . . . . 0.0 109.899 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.95 51.83 0.52 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.113 -0.992 . . . . 0.0 108.985 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -62.47 -29.22 70.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.23 -48.66 80.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.928 -1.107 . . . . 0.0 110.159 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 tp -57.95 -25.91 61.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 110.05 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -74.41 -37.92 63.24 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -59.25 -43.88 92.42 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -74.89 -47.16 31.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.288 -0.883 . . . . 0.0 109.52 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.79 68.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.236 -0.915 . . . . 0.0 109.621 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -60.6 -27.3 67.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 0.0 109.334 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -82.41 -31.86 29.37 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.789 -1.194 . . . . 0.0 110.452 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -98.99 -10.05 23.18 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 121.14 -0.975 . . . . 0.0 110.462 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -76.66 124.46 87.76 Favored Pre-proline 0 N--CA 1.499 1.979 0 O-C-N 120.747 -1.221 . . . . 0.0 108.282 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.35 140.82 90.23 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 N-CA-C 109.19 -1.119 . . . . 0.0 109.19 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt . . . . . 0 N--CA 1.503 2.208 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.077 179.741 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.39 97.26 0.19 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -72.7 143.94 47.87 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.352 -0.843 . . . . 0.0 109.199 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.0 m -64.47 -20.62 66.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.887 . . . . 0.0 109.162 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -68.57 -50.83 48.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.886 . . . . 0.0 109.603 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -72.81 -33.89 66.5 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.23 -0.919 . . . . 0.0 109.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.88 -45.05 62.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.258 -0.901 . . . . 0.0 110.286 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -72.86 -37.16 67.46 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.947 -1.095 . . . . 0.0 109.338 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.18 89.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.988 -1.07 . . . . 0.0 108.946 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -63.14 -32.6 74.03 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.467 -0.771 . . . . 0.0 109.2 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -54.61 40.09 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 109.229 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.4 -25.21 59.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.101 -0.999 . . . . 0.0 108.99 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' CD2' ' A' ' 49' ' ' HIS . 15.5 mm-40 -80.75 -21.49 41.04 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.234 -0.916 . . . . 0.0 108.933 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -69.98 0.27 6.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.0 109.764 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 mt -89.6 167.32 13.04 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.04 -1.038 . . . . 0.0 109.371 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.46 152.63 40.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.305 -0.872 . . . . 0.0 109.943 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -55.0 -43.72 73.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.5 -32.12 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 108.803 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.42 -29.54 62.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.028 -1.045 . . . . 0.0 109.817 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.04 -38.06 89.66 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.944 -1.098 . . . . 0.0 108.713 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -75.64 -41.1 55.02 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.179 -0.951 . . . . 0.0 110.833 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 97.0 mttt -75.29 -31.02 60.57 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.886 -1.134 . . . . 0.0 110.533 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -69.88 -47.58 62.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.753 -1.217 . . . . 0.0 109.706 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -63.73 -48.12 78.35 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.016 -1.052 . . . . 0.0 109.949 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 28.4 ttt -63.08 -34.02 76.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.398 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -62.03 -33.08 73.7 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.942 -1.099 . . . . 0.0 109.938 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.46 -32.32 71.29 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.929 -1.107 . . . . 0.0 109.973 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 28' ' ' GLU . 4.1 mp0 -82.91 -17.24 44.38 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.916 -1.115 . . . . 0.0 109.59 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.97 -16.75 63.74 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.11 -0.994 . . . . 0.0 110.656 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -76.38 119.25 76.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.801 -1.187 . . . . 0.0 109.628 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -65.66 166.71 19.17 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 N-CA-C 108.836 -1.255 . . . . 0.0 108.836 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.48 132.9 54.63 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 N-CA-C 109.295 -1.079 . . . . 0.0 109.295 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -100.72 19.56 16.86 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 tttm 55.91 38.68 30.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.952 -1.093 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.8 48.5 0.02 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.8 t -165.62 151.32 9.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.342 -1.093 . . . . 0.0 109.17 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.21 96.48 35.19 Favored Pre-proline 0 N--CA 1.503 2.185 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -59.87 138.62 83.71 Favored 'Trans proline' 0 C--O 1.215 -0.664 0 N-CA-C 109.582 -0.968 . . . . 0.0 109.582 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.4 mm? -74.08 119.11 74.64 Favored Pre-proline 0 N--CA 1.49 1.541 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -54.92 139.78 79.03 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 CA-C-N 119.945 1.016 . . . . 0.0 109.679 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -61.56 -50.47 72.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.213 -0.929 . . . . 0.0 109.698 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.42 -26.34 44.27 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -75.05 -40.0 60.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.29 . . . . 0.0 109.659 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -68.45 -44.29 75.21 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 0.0 109.907 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -58.28 -40.35 81.68 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.079 -1.013 . . . . 0.0 109.429 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -74.02 -17.66 60.95 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.825 -1.172 . . . . 0.0 109.314 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.89 132.82 38.11 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.189 -0.945 . . . . 0.0 109.525 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -80.35 173.69 12.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' CD2' ' OE2' ' A' ' 13' ' ' GLU . 32.7 m170 -58.29 -49.44 77.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -64.84 -46.12 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.054 -1.029 . . . . 0.0 108.497 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.47 -36.81 76.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.299 -0.876 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -53.73 -51.43 63.33 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.086 . . . . 0.0 109.022 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.49 65.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 0.0 109.863 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.5 m -72.46 -40.09 67.26 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.011 -1.056 . . . . 0.0 110.99 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.81 -36.54 73.02 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.67 -1.269 . . . . 0.0 109.147 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 68.0 mmm -66.11 -40.07 90.42 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.347 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.9 mt -78.26 -35.6 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.936 -1.103 . . . . 0.0 110.348 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -76.78 -52.02 10.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.709 -1.244 . . . . 0.0 111.846 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -72.95 -42.26 63.59 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.69 -1.256 . . . . 0.0 112.222 -177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.85 -28.05 14.9 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.549 -1.344 . . . . 0.0 111.203 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 165.97 29.05 Favored Glycine 0 N--CA 1.505 3.265 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.97 -33.23 70.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.175 -1.191 . . . . 0.0 110.601 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -72.1 -53.27 13.28 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.003 -1.061 . . . . 0.0 110.505 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -71.45 -39.1 71.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.954 -1.091 . . . . 0.0 110.147 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.77 -49.35 68.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.883 -1.135 . . . . 0.0 109.82 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -58.98 -45.91 89.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 109.208 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.7 -38.34 75.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 109.837 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 44.2 mmm -75.44 -32.63 60.74 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.162 -0.961 . . . . 0.0 109.106 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.48 -45.99 64.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.225 -0.922 . . . . 0.0 110.43 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 71' ' ' TRP . 17.3 m -75.85 -47.02 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 120.999 -1.063 . . . . 0.0 110.673 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.548 ' N ' HG23 ' A' ' 70' ' ' VAL . 74.8 t90 -63.56 -29.4 70.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.034 -1.041 . . . . 0.0 110.239 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -72.25 -40.12 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.691 -1.256 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CZ ' ' O ' ' A' ' 69' ' ' ALA . 5.5 m-85 -56.66 -46.56 80.99 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.451 -1.406 . . . . 0.0 109.763 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -27.71 58.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.849 -1.157 . . . . 0.0 109.495 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 77' ' ' ASN . . . -70.82 -42.38 70.32 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 110.39 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 78' ' ' ARG . 1.1 mt -73.26 19.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.977 -1.077 . . . . 0.0 109.353 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 75' ' ' ALA . 70.0 m-20 59.07 1.63 0.22 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.562 -0.711 . . . . 0.0 110.324 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 76' ' ' ILE . 38.4 mtt-85 -81.65 57.92 3.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.034 -1.041 . . . . 0.0 108.522 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -56.7 -29.44 62.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.413 -0.805 . . . . 0.0 110.3 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.3 -41.72 69.26 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.981 -1.075 . . . . 0.0 109.914 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -65.75 -26.13 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.317 -0.864 . . . . 0.0 109.291 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -67.76 -33.54 75.05 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.678 -1.263 . . . . 0.0 109.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.04 -43.2 68.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 110.013 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.41 62.64 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.093 -1.004 . . . . 0.0 108.899 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.09 63.0 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.24 -0.912 . . . . 0.0 110.07 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.37 -27.46 64.34 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.223 -0.923 . . . . 0.0 110.023 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -84.41 -28.19 27.07 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.861 -1.15 . . . . 0.0 110.484 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.2 -12.31 50.11 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.952 -1.093 . . . . 0.0 110.145 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -55.12 109.46 1.61 Allowed Pre-proline 0 N--CA 1.505 2.28 0 CA-C-O 118.424 -0.798 . . . . 0.0 109.248 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.66 154.87 62.41 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 N-CA-C 109.651 -0.942 . . . . 0.0 109.651 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.922 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.44 97.19 0.68 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.242 -0.911 . . . . 0.0 109.521 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -76.27 131.91 39.53 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.204 -0.935 . . . . 0.0 109.178 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -63.44 -31.37 72.51 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.905 . . . . 0.0 109.388 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.469 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 70.4 ttt180 -52.62 -37.35 58.22 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.314 -0.867 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.3 m -71.87 -29.41 64.33 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.358 -0.839 . . . . 0.0 109.709 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.23 -52.93 14.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.027 -1.046 . . . . 0.0 109.355 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 57' ' ' ILE . 34.2 mt -53.72 -33.1 54.53 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 120.899 -1.125 . . . . 0.0 109.653 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.84 -35.34 72.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.185 -0.947 . . . . 0.0 109.646 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -74.97 -34.33 62.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.227 -0.921 . . . . 0.0 110.476 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -77.36 -50.77 12.06 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.825 -1.172 . . . . 0.0 109.633 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.1 tp -59.83 -26.45 65.81 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.135 -0.978 . . . . 0.0 108.661 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.19 -27.7 35.24 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.225 -0.922 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.25 -1.45 4.53 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.168 -0.957 . . . . 0.0 109.605 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.12 155.45 25.02 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.206 -0.934 . . . . 0.0 108.758 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.48 161.37 27.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -69.96 -39.77 75.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.15 -39.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.835 -1.166 . . . . 0.0 110.005 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 7.9 p30 -71.96 -28.14 63.24 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.631 -1.293 . . . . 0.0 108.731 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.507 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 34.3 tp -56.08 -50.98 69.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.297 -0.877 . . . . 0.0 109.114 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -60.62 -40.04 90.41 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.364 -0.835 . . . . 0.0 109.537 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.555 ' NZ ' ' NE2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -67.31 -27.12 66.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.246 -0.909 . . . . 0.0 109.872 -179.425 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.428 ' CE2' HG21 ' A' ' 72' ' ' ILE . 32.4 t80 -66.63 -43.11 85.59 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.958 -1.089 . . . . 0.0 110.287 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.578 ' HZ1' HD22 ' A' ' 52' ' ' LEU . 3.8 mptp? -65.64 -46.2 80.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.958 -1.089 . . . . 0.0 109.149 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -57.29 -34.3 68.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.264 -0.898 . . . . 0.0 109.86 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.555 ' NE2' ' NZ ' ' A' ' 22' ' ' LYS . 46.7 m-70 -69.54 -43.01 73.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.72 -36.61 78.65 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.842 -1.161 . . . . 0.0 108.907 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -73.76 -27.44 61.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.095 -1.003 . . . . 0.0 109.341 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.52 8.98 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.338 -0.851 . . . . 0.0 109.996 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 120.19 74.2 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.031 -1.043 . . . . 0.0 108.308 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.19 166.18 13.3 Favored 'Trans proline' 0 CA--C 1.549 1.233 0 CA-C-N 119.986 1.031 . . . . 0.0 109.645 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -63.93 141.68 78.65 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 121.182 1.255 . . . . 0.0 109.536 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -111.57 8.8 21.09 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptp 55.6 47.77 20.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.24 -0.913 . . . . 0.0 109.405 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.08 -64.65 0.17 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.1 m -63.45 129.86 42.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.328 -1.101 . . . . 0.0 109.015 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 pt -82.8 121.66 77.79 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.013 -1.054 . . . . 0.0 108.44 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.14 149.79 82.95 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.921 1.008 . . . . 0.0 109.635 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 39' ' ' LEU . 10.0 mp -71.76 119.31 73.46 Favored Pre-proline 0 N--CA 1.491 1.576 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 138.33 81.91 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 119.903 1.001 . . . . 0.0 109.701 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -64.27 -33.75 76.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 109.774 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 -41.58 97.5 Favored Glycine 0 N--CA 1.504 3.219 0 C-N-CA 119.6 -1.286 . . . . 0.0 109.971 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -75.7 -33.94 60.36 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.795 -1.415 . . . . 0.0 109.67 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 99.0 m -70.2 -43.04 71.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.257 -0.902 . . . . 0.0 110.424 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -42.53 66.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.823 -1.173 . . . . 0.0 109.698 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -70.68 -17.01 62.85 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.884 -1.135 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.06 130.64 43.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 109.431 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.19 170.5 16.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.331 -0.856 . . . . 0.0 108.763 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -55.06 -37.47 66.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.05 -1.031 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.35 -52.4 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.122 -0.986 . . . . 0.0 108.806 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -35.18 72.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 0.0 109.687 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.578 HD22 ' HZ1' ' A' ' 24' ' ' LYS . 7.4 tp -59.03 -51.3 70.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.018 -1.051 . . . . 0.0 109.606 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.176 -0.953 . . . . 0.0 109.783 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.469 ' OG1' ' NH2' ' A' ' 5' ' ' ARG . 88.2 m -70.48 -32.3 69.76 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.092 -1.005 . . . . 0.0 109.447 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.1 mt -71.29 -34.23 70.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.035 -1.041 . . . . 0.0 108.555 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 78.2 mmm -71.06 -43.71 67.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.454 -0.779 . . . . 0.0 109.612 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 8' ' ' LEU . 65.6 mt -77.87 -32.87 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 120.793 -1.192 . . . . 0.0 110.295 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -76.69 -52.16 10.15 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.706 -1.246 . . . . 0.0 112.094 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -81.72 -42.24 20.14 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.632 -1.293 . . . . 0.0 112.563 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -93.21 -27.68 16.73 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.388 -1.445 . . . . 0.0 110.748 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.74 169.67 32.59 Favored Glycine 0 N--CA 1.502 3.064 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' OE2' ' CE2' ' A' ' 66' ' ' TRP . 8.3 tp10 -71.05 -34.77 71.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.171 -1.194 . . . . 0.0 110.423 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.37 -53.01 21.61 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.076 -1.015 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -73.44 -36.62 65.94 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.86 -1.15 . . . . 0.0 110.193 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.47 36.59 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.789 -1.195 . . . . 0.0 109.825 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.458 ' CE2' ' OE2' ' A' ' 62' ' ' GLU . 40.7 m0 -60.15 -38.09 82.08 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.075 -1.016 . . . . 0.0 108.795 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.29 83.53 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.205 -0.935 . . . . 0.0 109.355 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 13.5 tpp -74.97 -32.22 61.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.267 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.18 69.59 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.836 . . . . 0.0 110.804 -178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 71' ' ' TRP . 25.4 m -75.68 -43.38 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.207 0 O-C-N 120.953 -1.092 . . . . 0.0 110.75 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.49 ' N ' HG23 ' A' ' 70' ' ' VAL . 82.3 t90 -63.38 -30.19 71.37 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.938 -1.101 . . . . 0.0 110.229 -178.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 23' ' ' PHE . 34.7 mt -73.1 -41.01 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 120.693 -1.254 . . . . 0.0 109.758 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -56.04 -46.81 78.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.492 -1.38 . . . . 0.0 109.828 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.71 67.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.877 -1.139 . . . . 0.0 109.741 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.08 -47.14 53.63 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.093 -1.004 . . . . 0.0 110.613 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.7 pt -84.9 20.37 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 120.976 -1.077 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 56.94 87.71 0.06 Allowed 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.684 0.754 . . . . 0.0 109.601 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -168.26 32.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -47.41 -27.85 1.86 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.892 -0.505 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.3 -24.82 8.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.759 -1.213 . . . . 0.0 109.905 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -78.08 -26.3 48.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.299 -0.876 . . . . 0.0 108.793 179.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -69.84 -34.04 73.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.707 -1.246 . . . . 0.0 108.684 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.92 -41.43 67.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.195 -0.941 . . . . 0.0 109.481 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.56 -52.79 10.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 109.798 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.4 -38.94 66.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -70.35 -27.54 64.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.214 -0.929 . . . . 0.0 109.544 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -78.77 -29.3 44.99 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.959 -1.088 . . . . 0.0 109.559 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.83 -2.86 52.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.236 -0.915 . . . . 0.0 109.585 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.99 114.33 7.35 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.112 -0.993 . . . . 0.0 108.827 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.74 146.97 96.3 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 CA-C-N 119.769 0.953 . . . . 0.0 109.626 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.907 179.921 . . . . . . . . 0 0 . 1 stop_ save_