data_1b4c_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 1b4c _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.43 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 8.9 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.7 -34.24 62.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 0.0 109.477 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.1 -48.51 78.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.739 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.43 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -51.58 -47.02 63.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.961 -1.087 . . . . 0.0 109.067 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.16 -43.35 41.79 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.802 0.81 . . . . 0.0 109.433 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.12 -31.05 49.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.828 -0.545 . . . . 0.0 110.385 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 tpt -61.18 -47.62 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.716 -1.24 . . . . 0.0 108.262 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.97 -35.6 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.356 -0.84 . . . . 0.0 109.041 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.52 -47.11 82.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.879 . . . . 0.0 108.94 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.14 -47.84 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.982 . . . . 0.0 108.642 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.85 -44.35 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.74 -50.19 45.24 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.405 0.621 . . . . 0.0 110.192 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.64 -35.67 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.448 -0.783 . . . . 0.0 111.177 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.86 -33.9 76.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.245 -1.534 . . . . 0.0 108.645 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -77.36 -33.09 55.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.639 -0.663 . . . . 0.0 110.047 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.43 -44.54 72.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 109.961 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.43 -44.17 65.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.979 -1.076 . . . . 0.0 109.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.6 61.0 1.34 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.303 -0.873 . . . . 0.0 110.253 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.57 -10.37 9.45 Favored Glycine 0 N--CA 1.502 3.081 0 N-CA-C 107.69 -2.164 . . . . 0.0 107.69 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -65.32 -32.76 74.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.573 -0.957 . . . . 0.0 109.363 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 23' ' ' ASP . 23.4 mt-10 -146.49 -45.19 0.19 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.604 -1.31 . . . . 0.0 110.184 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.18 11.0 0.19 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' A' ' 21' ' ' GLU . 4.2 m-20 -49.17 -57.18 7.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.067 -1.255 . . . . 0.0 108.545 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.38 -178.23 5.3 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -130.31 46.55 2.64 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.54 149.72 52.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.834 -0.541 . . . . 0.0 109.659 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -123.64 140.0 53.43 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.39 153.92 20.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.971 -1.08 . . . . 0.0 109.658 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 30' ' ' SER . 37.6 pttt -62.7 -42.38 99.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.125 -0.984 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.48 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 23.1 t -55.96 -39.59 71.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.0 110.358 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.13 -33.9 26.18 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.976 -1.078 . . . . 0.0 108.45 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.19 -48.13 83.02 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.17 -55.94 17.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.513 -1.367 . . . . 0.0 108.688 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.46 -35.87 9.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 109.318 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -37.85 89.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.866 -1.146 . . . . 0.0 108.276 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.01 -35.03 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.854 -1.154 . . . . 0.0 109.209 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.95 -24.97 66.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.387 -0.821 . . . . 0.0 111.31 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 40.4 t-20 -118.31 4.4 11.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.228 -0.92 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -123.95 -27.02 3.97 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.188 -0.945 . . . . 0.0 110.525 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.58 13.47 14.32 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.346 -0.846 . . . . 0.0 109.168 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.33 -25.98 61.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -74.2 -50.1 20.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 110.249 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.32 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 109.979 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -48.48 -28.37 3.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.279 -0.888 . . . . 0.0 109.966 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -74.56 -38.26 62.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.931 -1.105 . . . . 0.0 110.027 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -90.48 55.59 3.07 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.219 -0.926 . . . . 0.0 110.857 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 48' ' ' LYS . 52.7 mt -128.8 162.98 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 74.8 tttt -143.05 -46.26 0.3 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.803 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.68 60.23 0.34 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.023 -1.048 . . . . 0.0 109.171 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.8 mm100 -44.82 -27.88 0.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.21 -23.33 61.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.34 -48.05 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.67 -35.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 120.896 -1.127 . . . . 0.0 108.945 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.84 -44.54 82.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 59' ' ' THR . 92.5 mttt -70.88 -26.47 63.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.199 -0.938 . . . . 0.0 109.748 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.7 -57.55 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 120.677 -1.264 . . . . 0.0 108.207 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.58 -27.05 15.21 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.303 -0.873 . . . . 0.0 109.758 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.25 -32.8 22.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.947 -1.096 . . . . 0.0 108.634 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 4.0 m -69.09 -45.14 71.02 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.86 -58.65 7.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.561 -1.337 . . . . 0.0 108.184 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.93 -23.46 5.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 0.0 109.326 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -101.91 39.92 1.4 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.217 1.008 . . . . 0.0 109.423 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.609 ' C ' ' H ' ' A' ' 65' ' ' ASP . 15.5 t0 -44.79 -39.19 5.05 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.626 0.727 . . . . 0.0 109.978 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 -7.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.576 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.609 ' H ' ' C ' ' A' ' 63' ' ' ASP . 14.3 t70 -107.56 -8.41 16.2 Favored 'General case' 0 N--CA 1.512 2.663 0 CA-C-N 119.081 1.44 . . . . 0.0 112.303 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 -28.48 2.55 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 119.714 -1.867 . . . . 0.0 110.449 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -151.3 133.48 15.25 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.898 -1.354 . . . . 0.0 110.226 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.3 m -104.77 126.87 52.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.287 -0.883 . . . . 0.0 109.037 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.37 5.09 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.57 -32.66 64.27 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.82 -36.61 77.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 108.914 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.58 -26.31 61.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -0.955 . . . . 0.0 109.787 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -75.68 -39.47 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.282 -0.886 . . . . 0.0 109.193 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.84 -28.65 67.74 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.425 -1.422 . . . . 0.0 108.634 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.91 -54.83 6.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.251 -1.531 . . . . 0.0 110.232 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -56.95 -32.99 66.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.609 -1.307 . . . . 0.0 109.385 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 49.5 t -68.66 -34.76 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.6 p -70.29 -52.98 18.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 109.844 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' ALA . 13.8 mtt -51.46 -50.99 58.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.022 -1.049 . . . . 0.0 109.805 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.6 t -59.62 -42.4 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -69.61 -47.97 61.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.983 . . . . 0.0 108.888 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -72.82 -17.03 61.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 109.832 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.02 . . . . 0.0 108.799 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' B' ' 4' ' ' GLU . 8.8 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.47 ' N ' ' OE1' ' B' ' 2' ' ' GLU . 0.7 OUTLIER -54.66 -34.24 61.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.1 -48.46 78.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 0.0 109.742 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.418 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -51.64 -47.01 63.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.986 -1.071 . . . . 0.0 109.031 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.05 -43.46 40.85 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.829 0.823 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.09 50.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.801 -0.562 . . . . 0.0 110.403 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 tpt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.735 -1.228 . . . . 0.0 108.19 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.96 -35.52 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.398 -0.814 . . . . 0.0 109.061 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.13 82.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 108.92 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.07 -47.88 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -44.38 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.73 -50.25 44.85 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.59 -35.6 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 111.212 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.9 -33.95 76.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.237 -1.539 . . . . 0.0 108.58 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -77.36 -33.04 55.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.605 -0.684 . . . . 0.0 110.085 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.54 72.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 109.966 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.44 -44.18 65.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.088 . . . . 0.0 109.202 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.57 60.98 1.34 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.335 -0.853 . . . . 0.0 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.62 -10.31 9.46 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 107.708 -2.157 . . . . 0.0 107.708 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -65.4 -32.72 74.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.561 -0.964 . . . . 0.0 109.362 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' B' ' 23' ' ' ASP . 23.3 mt-10 -146.46 -45.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.611 -1.306 . . . . 0.0 110.229 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.23 10.92 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 21' ' ' GLU . 4.2 m-20 -49.12 -57.27 6.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.052 -1.263 . . . . 0.0 108.469 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.34 -178.19 5.3 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -130.34 46.53 2.64 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.6 149.7 52.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.525 . . . . 0.0 109.683 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 tp -123.6 140.0 53.44 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.44 153.95 20.76 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.944 -1.097 . . . . 0.0 109.62 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' B' ' 30' ' ' SER . 37.5 pttt -62.67 -42.44 99.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.097 -1.002 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 23.0 t -55.99 -39.58 72.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.361 -0.837 . . . . 0.0 110.317 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -83.18 -33.82 26.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.013 -1.054 . . . . 0.0 108.445 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.24 -48.16 82.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.15 -55.84 18.39 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.524 -1.36 . . . . 0.0 108.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.61 -35.8 9.82 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 109.279 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.95 -37.87 89.08 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.902 -1.124 . . . . 0.0 108.32 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 mt -63.98 -35.0 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.864 -1.148 . . . . 0.0 109.251 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.96 -24.99 66.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.781 . . . . 0.0 111.322 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 40.2 t-20 -118.26 4.43 11.91 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.205 -0.935 . . . . 0.0 110.552 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -124.0 -27.01 3.95 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.192 -0.942 . . . . 0.0 110.492 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.58 13.5 14.33 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.361 -0.837 . . . . 0.0 109.147 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.43 -25.93 61.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 110.176 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -74.16 -50.15 20.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.096 -1.003 . . . . 0.0 110.268 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -66.25 -19.92 65.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.965 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -48.44 -28.38 3.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 0.0 109.994 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -74.51 -38.23 62.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.915 -1.116 . . . . 0.0 110.11 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -90.57 55.68 3.07 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.188 -0.945 . . . . 0.0 110.822 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' B' ' 48' ' ' LYS . 52.1 mt -128.91 162.94 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' B' ' 47' ' ' ILE . 74.8 tttt -143.01 -46.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.2 -0.938 . . . . 0.0 109.814 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.75 60.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.0 -1.062 . . . . 0.0 109.141 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' B' ' 48' ' ' LYS . 20.8 mm100 -44.87 -27.88 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.367 -0.833 . . . . 0.0 110.506 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.19 -23.39 61.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.089 -1.007 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -73.32 -48.0 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 107.574 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.66 -35.82 74.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.996 -1.065 . . . . 0.0 108.91 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.82 -44.5 82.08 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.502 -0.749 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' B' ' 59' ' ' THR . 92.5 mttt -70.96 -26.39 63.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.19 -0.944 . . . . 0.0 109.746 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.74 -57.53 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.663 -1.273 . . . . 0.0 108.184 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.62 -27.01 15.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.732 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.34 -32.84 22.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.919 -1.113 . . . . 0.0 108.57 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 4.0 m -69.02 -45.16 71.21 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.86 -58.64 7.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.564 -1.335 . . . . 0.0 108.201 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.84 -23.48 4.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.35 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -101.95 40.03 1.39 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.28 1.038 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.621 ' C ' ' H ' ' B' ' 65' ' ' ASP . 15.2 t0 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.275 -2.641 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.491 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.81 -7.79 0.01 OUTLIER Glycine 0 N--CA 1.49 2.266 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.684 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.621 ' H ' ' C ' ' B' ' 63' ' ' ASP . 14.3 t70 -107.58 -8.35 16.2 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.794 -1.415 . . . . 0.0 112.368 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.11 -28.58 2.56 Favored Glycine 0 N--CA 1.492 2.394 0 O-C-N 119.664 -1.898 . . . . 0.0 110.395 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -151.28 133.43 15.24 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.908 -1.348 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 80.4 m -104.74 126.86 52.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.295 -0.878 . . . . 0.0 109.01 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.44 5.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.18 -0.95 . . . . 0.0 110.139 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.51 -32.7 64.39 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.78 -36.69 77.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.866 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.56 -26.34 61.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.757 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -75.6 -39.57 57.78 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.311 -0.868 . . . . 0.0 109.195 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.83 -28.68 67.78 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.399 -1.438 . . . . 0.0 108.618 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.83 -54.86 6.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.351 -1.468 . . . . 0.0 110.28 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -56.92 -32.99 66.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.504 -1.373 . . . . 0.0 109.362 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 49.2 t -68.68 -34.8 66.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.264 -0.897 . . . . 0.0 109.055 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.6 p -70.25 -53.01 18.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.896 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.534 ' O ' ' N ' ' B' ' 83' ' ' ALA . 13.9 mtt -51.36 -51.1 57.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.003 -1.061 . . . . 0.0 109.789 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.58 -42.38 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 109.542 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -48.0 61.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 108.859 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -72.87 -16.98 61.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.811 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.035 . . . . 0.0 108.847 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.446 HE21 ' CG ' ' A' ' 54' ' ' ASP . 45.7 tp60 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' CG ' HE21 ' A' ' 50' ' ' GLN . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 59' ' ' THR . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.616 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.616 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.462 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.444 HE21 ' CG ' ' B' ' 54' ' ' ASP . 45.8 tp60 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.444 ' CG ' HE21 ' B' ' 50' ' ' GLN . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' B' ' 59' ' ' THR . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.467 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -62.15 -33.47 74.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.965 . . . . 0.0 109.429 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.26 -53.23 56.21 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 109.708 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.08 -47.82 65.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.657 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.88 -40.25 42.18 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.795 0.807 . . . . 0.0 109.55 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.13 -27.91 54.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.873 -0.517 . . . . 0.0 110.884 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.66 -46.15 89.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.725 -1.234 . . . . 0.0 108.556 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.74 -35.46 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.497 -0.752 . . . . 0.0 110.003 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.57 77.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.52 -57.74 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.009 0.909 . . . . 0.0 110.133 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.77 -40.05 41.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.544 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.74 -37.67 76.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.927 -1.108 . . . . 0.0 109.906 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.91 -41.38 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.693 -1.254 . . . . 0.0 108.544 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.78 -34.56 74.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.832 -1.168 . . . . 0.0 108.407 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -76.52 -31.58 57.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.785 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.17 -43.4 67.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.78 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.24 -44.62 64.96 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.077 -1.014 . . . . 0.0 109.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -97.35 58.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.327 -0.858 . . . . 0.0 110.149 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.79 -15.09 6.42 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.059 -2.016 . . . . 0.0 108.059 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -63.28 -32.29 73.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.48 -1.012 . . . . 0.0 109.041 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 51.3 mt-10 -147.29 -44.91 0.17 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.679 -1.263 . . . . 0.0 109.018 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.93 17.39 0.09 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 77.5 m-20 -48.22 -57.21 6.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -1.109 . . . . 0.0 108.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 24' ' ' LYS . 9.9 mptt -92.09 176.57 6.45 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 39.3 p-80 -125.41 50.31 1.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -131.52 146.18 52.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.846 -0.534 . . . . 0.0 109.605 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 68' ' ' CYS . 16.1 tp -122.79 144.31 49.27 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -94.14 152.19 18.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.104 -0.997 . . . . 0.0 110.009 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.4 -38.79 74.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 110.219 179.391 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.423 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 p -60.19 -40.72 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -79.0 -33.61 44.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 0.0 108.738 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.52 -58.28 7.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.671 -1.268 . . . . 0.0 108.744 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.66 -38.47 55.04 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.95 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.48 -37.87 80.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.123 -0.986 . . . . 0.0 109.612 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.74 -33.87 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 108.638 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.56 -55.77 18.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.542 -0.724 . . . . 0.0 111.678 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.74 5.99 12.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.926 -1.108 . . . . 0.0 111.639 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -122.41 -26.8 4.55 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.992 -1.067 . . . . 0.0 110.412 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.53 24.32 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.124 -0.985 . . . . 0.0 109.875 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.0 -26.18 61.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.181 -0.95 . . . . 0.0 109.808 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -73.17 -50.86 20.24 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.973 -1.08 . . . . 0.0 109.745 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.67 -17.17 60.05 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.29 -0.881 . . . . 0.0 109.346 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -35.04 21.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.766 . . . . 0.0 109.793 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.46 -38.0 68.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.866 -1.146 . . . . 0.0 109.956 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -85.56 59.25 5.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.84 109.39 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.28 -0.887 . . . . 0.0 109.288 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.25 -44.98 9.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.164 -0.96 . . . . 0.0 109.233 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 37.8 mp0 -86.41 103.64 15.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.332 -0.855 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.66 -24.1 39.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 0.0 109.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -74.32 -22.94 59.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.826 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.64 -47.84 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.43 . . . . 0.0 107.727 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -63.29 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.939 -1.101 . . . . 0.0 108.931 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.55 -46.05 90.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.382 -0.824 . . . . 0.0 109.536 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 59' ' ' THR . 69.8 mmtt -69.49 -26.74 64.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.453 -0.78 . . . . 0.0 109.889 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.48 -56.91 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 108.428 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.43 -26.17 40.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 110.343 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.82 -35.07 20.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.882 -1.136 . . . . 0.0 109.32 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.8 m -68.64 -43.78 75.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.685 -1.259 . . . . 0.0 108.271 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.76 -56.99 14.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.792 -1.192 . . . . 0.0 108.264 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.79 -20.78 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 0.0 109.053 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.3 41.62 1.21 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 122.14 0.971 . . . . 0.0 109.356 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.616 ' C ' ' H ' ' A' ' 65' ' ' ASP . 32.1 t0 -43.38 -32.31 0.82 Allowed 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.83 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.0 -10.4 0.01 OUTLIER Glycine 0 N--CA 1.498 2.786 0 O-C-N 122.01 -0.431 . . . . 0.0 112.5 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.616 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.9 p30 -108.75 -31.7 7.61 Favored 'General case' 0 N--CA 1.515 2.824 0 CA-C-N 119.434 1.617 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.86 23.23 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 119.792 -1.818 . . . . 0.0 109.65 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 46.5 mt-10 -147.37 131.26 17.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.124 -1.221 . . . . 0.0 109.509 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' LEU . 3.6 m -105.0 126.88 52.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.191 -0.943 . . . . 0.0 109.192 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.65 -174.36 5.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.907 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.52 -32.6 62.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 108.782 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.75 -37.75 74.18 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.963 -1.086 . . . . 0.0 109.02 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.62 61.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.012 -1.055 . . . . 0.0 109.58 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -72.93 -40.58 65.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.059 -1.026 . . . . 0.0 109.056 178.289 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.59 -53.92 16.54 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.198 -1.564 . . . . 0.0 109.435 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.95 -50.17 67.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.173 -1.579 . . . . 0.0 111.218 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.65 -34.37 78.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.659 -1.276 . . . . 0.0 109.839 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.7 t -67.15 -35.99 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.131 -0.981 . . . . 0.0 108.858 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 p -65.5 -50.42 65.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.099 -1.001 . . . . 0.0 109.286 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.6 mtp -50.82 -38.43 48.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.341 -0.849 . . . . 0.0 110.562 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.0 t -72.19 -39.06 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.99 -1.069 . . . . 0.0 109.783 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.65 -45.68 74.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.047 . . . . 0.0 108.588 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.96 -18.06 61.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.474 -0.766 . . . . 0.0 109.729 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.205 -0.934 . . . . 0.0 109.049 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -62.17 -33.51 74.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.385 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.25 -53.21 56.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 109.735 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.09 -47.83 65.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.01 -1.056 . . . . 0.0 109.599 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.82 -40.31 41.54 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.807 0.813 . . . . 0.0 109.577 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.08 -27.93 54.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.885 -0.509 . . . . 0.0 110.867 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.61 -46.22 89.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.739 -1.226 . . . . 0.0 108.59 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.69 -35.41 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.468 -0.77 . . . . 0.0 110.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.56 77.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.088 -1.007 . . . . 0.0 109.591 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.5 -57.72 8.27 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.094 0.949 . . . . 0.0 110.137 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt -53.81 -40.1 42.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.73 -37.65 76.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.912 -1.118 . . . . 0.0 109.915 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.9 -41.43 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.748 -1.22 . . . . 0.0 108.508 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -60.78 -34.61 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.796 -1.19 . . . . 0.0 108.371 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.48 -31.6 57.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.804 . . . . 0.0 109.981 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.26 -43.3 67.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.524 -0.735 . . . . 0.0 109.772 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -71.2 -44.74 64.81 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.05 -1.031 . . . . 0.0 109.133 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -97.3 58.51 1.52 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 110.171 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -15.01 6.41 Favored Glycine 0 N--CA 1.503 3.158 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -63.34 -32.21 73.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -1.068 . . . . 0.0 109.059 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 51.3 mt-10 -147.38 -44.82 0.17 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.739 -1.225 . . . . 0.0 108.994 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 44.87 17.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 77.6 m-20 -48.18 -57.29 6.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -1.106 . . . . 0.0 108.139 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' B' ' 24' ' ' LYS . 9.9 mptt -92.06 176.52 6.47 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 39.4 p-80 -125.39 50.4 1.8 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -131.62 146.2 52.08 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' B' ' 68' ' ' CYS . 16.2 tp -122.84 144.22 49.34 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -94.05 152.17 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.496 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.3 -38.89 74.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.252 179.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.427 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 p -60.12 -40.76 90.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.81 . . . . 0.0 110.993 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.92 -33.68 45.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 108.738 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.34 -42.73 99.17 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.58 -58.25 7.85 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.671 -1.268 . . . . 0.0 108.745 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.73 -38.37 54.99 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.998 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.5 -37.84 80.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.091 -1.006 . . . . 0.0 109.674 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.7 -33.93 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.618 -1.301 . . . . 0.0 108.651 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.57 -55.77 18.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.55 -0.719 . . . . 0.0 111.678 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.69 5.99 11.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.985 -1.072 . . . . 0.0 111.692 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -122.46 -26.81 4.53 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.026 -1.046 . . . . 0.0 110.371 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -121.49 24.36 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.136 -0.978 . . . . 0.0 109.896 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.04 -26.18 61.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.202 -0.936 . . . . 0.0 109.81 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -73.13 -50.88 20.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.022 -1.049 . . . . 0.0 109.746 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.73 -17.06 60.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.298 -0.876 . . . . 0.0 109.382 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.81 -35.11 21.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.749 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.37 -37.97 68.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.844 -1.16 . . . . 0.0 110.03 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -85.54 59.21 5.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.85 109.3 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.2 -45.06 9.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -0.982 . . . . 0.0 109.176 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 37.9 mp0 -86.31 103.69 15.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.288 -0.883 . . . . 0.0 109.229 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.72 -24.17 38.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.942 -1.099 . . . . 0.0 109.518 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -74.31 -22.93 59.04 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 110.769 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -72.66 -47.77 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.421 -1.425 . . . . 0.0 107.821 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.4 t -63.3 -32.76 57.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.005 -1.06 . . . . 0.0 108.916 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.6 -45.96 90.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.349 -0.845 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.441 ' O ' ' OG1' ' B' ' 59' ' ' THR . 69.8 mmtt -69.56 -26.71 64.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 109.861 -179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 91.2 t -66.52 -56.89 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.735 -1.228 . . . . 0.0 108.434 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.45 -26.19 40.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.792 . . . . 0.0 110.315 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.79 -35.13 20.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.896 -1.128 . . . . 0.0 109.281 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 2.8 m -68.61 -43.76 75.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.647 -1.283 . . . . 0.0 108.277 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.83 -56.93 15.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.723 -1.236 . . . . 0.0 108.242 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.76 -20.79 1.37 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 0.0 109.015 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -102.34 41.62 1.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 122.235 1.016 . . . . 0.0 109.622 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' B' ' 65' ' ' ASP . 32.3 t0 -43.06 -32.59 0.7 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.455 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -10.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 O-C-N 122.038 -0.413 . . . . 0.0 112.639 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.9 p30 -108.68 -31.79 7.6 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 119.35 1.575 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.67 -25.93 22.79 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.779 -1.825 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.4 mt-10 -147.3 131.25 17.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.109 -1.23 . . . . 0.0 109.45 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' B' ' 27' ' ' LEU . 3.6 m -105.04 126.85 52.52 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.249 -0.907 . . . . 0.0 109.172 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.57 -174.39 5.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.53 -32.55 62.51 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 108.819 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.74 -37.78 74.2 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.923 -1.11 . . . . 0.0 109.025 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.58 61.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.023 -1.048 . . . . 0.0 109.53 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -72.99 -40.63 65.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.018 -1.052 . . . . 0.0 109.047 178.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.54 -53.92 16.64 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.22 -1.55 . . . . 0.0 109.477 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.88 -50.22 66.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.159 -1.588 . . . . 0.0 111.187 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.73 -34.32 77.92 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.631 -1.293 . . . . 0.0 109.821 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 19.7 t -67.16 -35.95 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 0.0 108.908 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 14.1 p -65.53 -50.38 65.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 109.32 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 76.8 mtp -50.85 -38.45 49.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -0.872 . . . . 0.0 110.545 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.06 -39.2 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.953 -1.092 . . . . 0.0 109.791 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.61 -45.71 74.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.949 -1.094 . . . . 0.0 108.598 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.91 -18.0 61.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.537 -0.727 . . . . 0.0 109.777 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 109.064 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -57.36 -34.93 69.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.7 -48.46 80.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 109.732 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -49.86 -46.4 51.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.246 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.13 -41.1 35.05 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.879 0.847 . . . . 0.0 109.257 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.42 -32.39 42.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.831 -0.543 . . . . 0.0 110.84 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -46.65 88.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.736 -1.228 . . . . 0.0 108.294 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.578 -0.701 . . . . 0.0 109.549 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -48.59 79.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.282 -0.886 . . . . 0.0 109.292 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.99 -55.56 16.77 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 122.031 0.919 . . . . 0.0 109.932 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -54.74 -41.31 55.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.662 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.03 -36.71 72.47 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.785 -1.197 . . . . 0.0 110.684 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.06 -42.43 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.397 -1.439 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.63 -31.93 62.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.672 -1.268 . . . . 0.0 107.88 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.75 -32.68 52.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.482 -0.761 . . . . 0.0 109.874 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.71 -45.43 70.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.429 -0.794 . . . . 0.0 110.097 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -72.39 -47.18 51.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.0 -1.062 . . . . 0.0 109.492 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.12 59.78 1.17 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 109.92 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.44 -14.11 4.52 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -65.82 -27.49 68.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.273 -1.134 . . . . 0.0 109.004 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.3 tt0 -146.35 -46.12 0.19 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.576 -1.327 . . . . 0.0 109.215 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 19.3 0.13 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.0 t70 -49.3 -55.04 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.077 -1.249 . . . . 0.0 108.174 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.88 163.02 14.54 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.71 45.15 1.26 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.13 152.05 51.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 109.56 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -123.16 140.97 52.47 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -89.4 153.2 21.03 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.961 -1.087 . . . . 0.0 109.545 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -39.62 92.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.1 -1.0 . . . . 0.0 110.066 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.24 -41.11 87.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.423 -0.798 . . . . 0.0 111.184 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.25 -34.7 36.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.008 -1.057 . . . . 0.0 109.1 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.75 -44.27 97.22 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -53.38 -55.51 24.36 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.738 -1.226 . . . . 0.0 109.099 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -47.14 -34.34 6.03 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.709 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.16 -43.83 77.34 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.82 -1.175 . . . . 0.0 109.477 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.03 -38.05 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.728 -1.232 . . . . 0.0 109.373 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.39 -26.77 68.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.44 -0.787 . . . . 0.0 111.253 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -116.06 4.75 13.74 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.23 -0.919 . . . . 0.0 111.09 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.32 -28.55 5.01 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.064 -1.023 . . . . 0.0 110.514 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.03 23.63 11.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.357 -0.839 . . . . 0.0 108.816 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.26 -25.71 63.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.579 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.54 -42.93 61.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.163 -0.961 . . . . 0.0 109.381 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -69.89 -23.44 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.52 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.94 -29.38 3.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 0.0 109.663 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.03 -41.13 64.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.871 -1.143 . . . . 0.0 109.954 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.23 59.38 5.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.273 -0.892 . . . . 0.0 110.0 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.53 102.04 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.434 -0.791 . . . . 0.0 109.074 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 29.9 mmtm -87.08 -40.68 14.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 mp0 -85.62 105.81 16.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.295 -0.878 . . . . 0.0 109.199 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 24.9 mp0 -82.96 -28.43 29.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.106 -0.996 . . . . 0.0 109.561 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.49 -22.2 60.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.434 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.09 -50.35 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.697 -1.252 . . . . 0.0 108.238 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.32 -33.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.885 -1.134 . . . . 0.0 109.018 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.16 -42.76 91.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.19 -26.76 64.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.4 -55.56 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 120.681 -1.262 . . . . 0.0 108.329 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.64 -25.33 17.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -85.66 -34.84 21.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.882 -1.136 . . . . 0.0 109.349 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.15 -48.92 66.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 108.137 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.41 -56.72 18.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.633 -1.292 . . . . 0.0 108.257 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.74 -24.7 6.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.234 -0.917 . . . . 0.0 109.199 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.87 39.75 1.35 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 122.26 1.029 . . . . 0.0 109.18 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.602 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.9 t70 -45.22 -35.32 3.24 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.59 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.95 -8.84 0.01 OUTLIER Glycine 0 N--CA 1.497 2.718 0 CA-C-O 119.759 -0.467 . . . . 0.0 112.649 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 63' ' ' ASP . 2.7 p30 -106.2 -31.47 8.65 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 119.658 1.729 . . . . 0.0 112.324 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 104.39 -26.57 22.36 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 119.898 -1.751 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 49.1 mt-10 -148.83 130.92 15.38 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.058 -1.26 . . . . 0.0 109.781 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.5 125.96 49.39 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.1 -1.0 . . . . 0.0 109.284 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 29.1 t70 -83.93 -174.63 5.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 109.818 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.511 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.1 t80 -76.39 -33.92 58.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 109.232 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.94 -39.25 81.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.914 -1.116 . . . . 0.0 109.063 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.38 -23.21 61.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 23.5 t80 -77.58 -41.38 39.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.736 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.81 -27.2 67.37 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.226 -1.546 . . . . 0.0 108.762 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 -52.47 9.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.31 -1.494 . . . . 0.0 110.246 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 -33.93 71.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.605 -1.309 . . . . 0.0 109.608 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.57 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 45.5 t -63.59 -33.49 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.094 -1.004 . . . . 0.0 108.982 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.578 ' HG ' ' H ' ' A' ' 79' ' ' MET . 52.3 p -70.48 -52.56 21.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 0.0 110.235 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.578 ' H ' ' HG ' ' A' ' 78' ' ' SER . 83.8 mtp -50.35 -38.49 42.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.236 -0.915 . . . . 0.0 110.918 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.51 -49.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.964 -1.085 . . . . 0.0 109.862 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m -60.16 -41.64 93.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.937 -1.102 . . . . 0.0 108.742 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.4 p -73.03 -21.24 60.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.56 -0.713 . . . . 0.0 109.833 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.048 -1.032 . . . . 0.0 109.065 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -57.32 -34.92 69.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.69 -48.5 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.274 -0.892 . . . . 0.0 109.726 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.84 -46.44 51.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 109.194 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.14 -41.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.854 0.835 . . . . 0.0 109.294 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.48 -32.4 42.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.839 -0.538 . . . . 0.0 110.815 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.654 -1.279 . . . . 0.0 108.306 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.548 -0.72 . . . . 0.0 109.541 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 109.339 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.02 -55.48 17.24 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.025 0.917 . . . . 0.0 109.952 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -54.89 -41.24 56.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.98 -36.86 72.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.849 -1.157 . . . . 0.0 110.697 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.96 -42.45 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.374 -1.454 . . . . 0.0 108.936 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.61 -31.85 62.6 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.715 -1.241 . . . . 0.0 107.953 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.82 -32.66 52.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.541 -0.724 . . . . 0.0 109.896 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -53.69 -45.43 70.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.461 -0.774 . . . . 0.0 110.144 -178.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -72.33 -47.25 51.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.988 -1.07 . . . . 0.0 109.47 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.1 59.83 1.17 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.345 -0.847 . . . . 0.0 109.843 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.45 -14.1 4.52 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -65.77 -27.56 68.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -1.173 . . . . 0.0 109.018 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.3 tt0 -146.27 -46.15 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.604 -1.31 . . . . 0.0 109.213 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.28 19.35 0.13 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 21' ' ' GLU . 14.9 t70 -49.33 -55.06 14.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.991 -1.299 . . . . 0.0 108.13 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.92 163.07 14.51 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.77 45.27 1.25 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.17 152.05 51.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.747 -0.596 . . . . 0.0 109.558 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.0 tp -123.23 140.99 52.45 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -89.41 153.17 21.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.977 -1.077 . . . . 0.0 109.575 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.65 92.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.054 -1.029 . . . . 0.0 110.061 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.23 -41.14 88.01 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.16 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.24 -34.69 36.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.01 -1.056 . . . . 0.0 109.137 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.66 -44.42 96.99 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -53.33 -55.51 24.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.808 -1.183 . . . . 0.0 109.077 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -47.19 -34.3 6.2 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.668 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.13 -43.89 77.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.811 -1.181 . . . . 0.0 109.413 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.04 -38.01 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.69 -1.256 . . . . 0.0 109.392 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.47 -26.65 68.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 111.272 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -116.11 4.79 13.7 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.266 -0.896 . . . . 0.0 111.083 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.29 -28.58 5.01 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.104 -0.997 . . . . 0.0 110.505 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.02 23.61 11.53 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.25 -25.76 63.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.423 -0.798 . . . . 0.0 109.538 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.49 -42.94 61.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.375 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -69.91 -23.37 63.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.06 -29.33 3.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 109.648 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.05 -41.17 64.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.971 -1.08 . . . . 0.0 109.916 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.28 59.42 5.54 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.255 -0.903 . . . . 0.0 110.004 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.54 102.03 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NE2' ' B' ' 50' ' ' GLN . 29.9 mmtm -86.98 -40.76 14.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.983 . . . . 0.0 109.37 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 7.9 mp0 -85.6 105.76 16.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.454 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 24.9 mp0 -82.92 -28.38 29.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.049 -1.032 . . . . 0.0 109.526 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -73.67 -22.03 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.375 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -75.18 -50.36 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.651 -1.281 . . . . 0.0 108.186 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.3 -33.9 63.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.942 -1.099 . . . . 0.0 109.035 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.23 -42.69 91.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -70.21 -26.75 64.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.828 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.32 -55.61 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.67 -1.269 . . . . 0.0 108.372 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.67 -25.23 17.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.384 -0.823 . . . . 0.0 110.216 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -85.77 -34.76 21.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.89 -1.131 . . . . 0.0 109.373 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -48.87 66.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.673 -1.267 . . . . 0.0 108.131 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.51 -56.64 19.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.549 -1.344 . . . . 0.0 108.221 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.72 -24.7 6.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.16 -0.962 . . . . 0.0 109.194 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.73 39.66 1.35 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.263 1.03 . . . . 0.0 109.559 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.597 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.2 t70 -45.29 -35.15 3.27 Favored 'General case' 0 C--N 1.275 -2.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.117 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.94 -9.23 0.01 OUTLIER Glycine 0 N--CA 1.494 2.528 0 O-C-N 122.057 -0.402 . . . . 0.0 112.846 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.597 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.7 p30 -106.08 -31.38 8.74 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.597 1.698 . . . . 0.0 112.356 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 104.43 -26.69 21.97 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 119.884 -1.76 . . . . 0.0 109.554 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 49.1 mt-10 -148.77 130.88 15.4 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.038 -1.272 . . . . 0.0 109.762 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.49 125.94 49.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.136 -0.977 . . . . 0.0 109.28 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 29.0 t70 -83.91 -174.68 5.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.759 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.517 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 28.9 t80 -76.36 -33.85 58.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.308 -0.87 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -59.03 -39.2 81.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.904 -1.122 . . . . 0.0 109.01 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.37 -23.25 61.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.148 -0.97 . . . . 0.0 109.506 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.562 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 23.6 t80 -77.57 -41.39 39.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.357 -0.839 . . . . 0.0 109.712 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.82 -27.24 67.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.207 -1.558 . . . . 0.0 108.77 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.4 9.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.296 -1.503 . . . . 0.0 110.264 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.3 -33.94 71.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.598 -1.314 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.562 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.5 t -63.64 -33.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.109 -0.994 . . . . 0.0 108.971 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.594 ' HG ' ' H ' ' B' ' 79' ' ' MET . 52.2 p -70.32 -52.61 21.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 110.26 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.594 ' H ' ' HG ' ' B' ' 78' ' ' SER . 83.9 mtp -50.34 -38.51 42.4 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 0.0 110.868 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.52 -50.01 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -60.11 -41.65 93.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.859 -1.151 . . . . 0.0 108.767 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -73.06 -21.18 60.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.735 . . . . 0.0 109.817 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.073 -1.017 . . . . 0.0 109.044 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.32 -35.54 69.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.193 -0.942 . . . . 0.0 109.538 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.45 -54.54 45.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.851 . . . . 0.0 109.663 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -54.97 -47.38 74.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.31 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -48.52 -43.47 35.28 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.762 0.791 . . . . 0.0 109.686 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.15 -28.66 42.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.803 -0.561 . . . . 0.0 110.767 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.491 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -58.94 -41.72 88.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.501 -1.374 . . . . 0.0 108.326 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.3 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.2 69.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.254 -0.904 . . . . 0.0 110.13 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.97 -57.83 9.03 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.033 0.921 . . . . 0.0 109.899 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -57.85 -39.16 69.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.085 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -69.51 -36.4 76.41 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.045 -1.034 . . . . 0.0 110.774 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.39 -34.97 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.396 -1.44 . . . . 0.0 109.459 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -60.25 -33.68 72.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.762 -1.211 . . . . 0.0 108.109 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.78 -30.38 61.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.497 -0.752 . . . . 0.0 109.646 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.93 -45.25 74.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -70.41 -43.02 70.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.062 -1.023 . . . . 0.0 109.238 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -96.95 61.06 1.78 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.05 -8.96 11.1 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.48 -31.95 73.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.546 -0.973 . . . . 0.0 109.328 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 23' ' ' ASP . 88.8 mt-10 -148.79 -45.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.604 -1.31 . . . . 0.0 110.172 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.3 12.26 0.3 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 21' ' ' GLU . 25.1 t0 -47.93 -59.46 3.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -1.153 . . . . 0.0 108.634 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -90.25 177.63 6.37 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -122.84 47.34 1.98 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -134.64 147.61 50.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.749 -0.594 . . . . 0.0 109.995 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 tp -122.22 142.39 50.48 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.82 154.75 19.28 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.889 -1.132 . . . . 0.0 109.605 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 30' ' ' SER . 4.3 pttm -59.57 -40.14 86.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.069 -1.019 . . . . 0.0 109.961 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.672 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 35.8 p -57.08 -39.79 75.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.296 -0.878 . . . . 0.0 111.11 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.672 ' N ' ' HG ' ' A' ' 30' ' ' SER . 79.0 mm-40 -82.06 -33.84 29.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.757 -1.214 . . . . 0.0 108.867 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.91 -46.46 89.3 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.79 -56.62 14.34 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.37 -1.456 . . . . 0.0 108.877 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.69 -35.95 15.05 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.229 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.09 -39.88 90.34 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 109.524 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 36' ' ' ILE . 65.5 mt -62.92 -40.23 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.83 -1.169 . . . . 0.0 109.549 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.75 -25.28 66.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 112.278 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -113.66 -17.91 12.02 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.002 -1.062 . . . . 0.0 111.752 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -97.89 -22.43 16.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.683 -1.261 . . . . 0.0 110.936 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.88 29.14 7.71 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.155 -0.965 . . . . 0.0 109.571 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -26.6 61.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.504 -0.747 . . . . 0.0 110.223 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -73.96 -52.15 13.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.979 -1.075 . . . . 0.0 110.129 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -63.97 -23.17 67.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.945 . . . . 0.0 109.533 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.77 -30.98 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.307 -0.871 . . . . 0.0 109.045 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -72.79 -39.21 66.89 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.101 -0.999 . . . . 0.0 109.115 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.42 58.27 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.66 149.19 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.76 -50.71 0.5 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.3 mt-10 -74.14 62.34 0.91 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.0 108.68 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.95 -24.9 0.16 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.404 -0.81 . . . . 0.0 110.338 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' GLU . 22.8 mt-10 -73.76 -22.64 59.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.107 -0.996 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.04 -50.28 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.613 -1.305 . . . . 0.0 107.93 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.56 -33.7 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.932 -1.105 . . . . 0.0 109.084 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -59.98 -44.6 94.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.61 -26.01 64.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.895 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.74 -56.52 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.825 -1.172 . . . . 0.0 108.175 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.32 15.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 110.211 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.62 -34.45 21.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.766 -1.209 . . . . 0.0 109.452 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 p -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.687 -1.258 . . . . 0.0 108.236 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.43 -56.83 15.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.633 -1.292 . . . . 0.0 108.285 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.17 -24.25 6.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 0.0 109.298 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.4 41.52 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 122.343 1.068 . . . . 0.0 109.014 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.602 ' C ' ' H ' ' A' ' 65' ' ' ASP . 25.9 t70 -43.99 -34.73 1.8 Allowed 'General case' 0 C--N 1.275 -2.672 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.786 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.88 -12.45 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 O-C-N 121.987 -0.446 . . . . 0.0 112.545 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.2 p30 -104.58 -31.21 9.53 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 119.584 1.692 . . . . 0.0 111.915 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 105.27 -25.57 24.5 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.974 -1.704 . . . . 0.0 109.339 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.41 129.44 15.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.15 -1.206 . . . . 0.0 109.798 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.491 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 49.0 m -101.64 125.07 48.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.99 -1.069 . . . . 0.0 109.192 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 30.6 t70 -83.2 -174.66 5.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.233 -0.917 . . . . 0.0 109.875 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.5 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.3 t80 -74.9 -33.73 62.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.323 -0.861 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.31 -37.62 81.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.094 . . . . 0.0 109.103 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.62 -25.93 61.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.075 -1.016 . . . . 0.0 109.878 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.9 t80 -74.86 -41.53 59.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.349 -0.845 . . . . 0.0 109.801 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -64.46 -48.49 75.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.045 -1.659 . . . . 0.0 108.061 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.0 63.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.422 -1.424 . . . . 0.0 110.996 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -70.17 -32.04 69.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.413 -1.43 . . . . 0.0 109.757 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 54.9 t -65.14 -34.28 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 0.0 109.206 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.2 p -71.31 -53.9 12.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.054 -1.029 . . . . 0.0 109.96 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.416 ' N ' ' OG ' ' A' ' 78' ' ' SER . 9.7 mtt -50.57 -39.4 49.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.228 -0.92 . . . . 0.0 110.675 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.18 -49.49 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.757 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.4 m -62.45 -41.51 98.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.146 -0.971 . . . . 0.0 108.905 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 78' ' ' SER . 17.6 p -67.71 -21.07 65.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.149 179.692 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.29 -35.56 69.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.543 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.47 -54.45 46.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 0.0 109.724 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -54.95 -47.47 74.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.192 -0.943 . . . . 0.0 109.261 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -48.46 -43.45 34.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.791 0.805 . . . . 0.0 109.713 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.18 -28.7 42.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.821 -0.549 . . . . 0.0 110.761 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -58.89 -41.77 87.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.547 -1.346 . . . . 0.0 108.304 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.715 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.15 69.77 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.239 -0.913 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.99 -57.78 9.19 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.993 0.901 . . . . 0.0 109.915 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.91 -39.11 69.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.087 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -69.58 -36.38 76.22 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.018 -1.051 . . . . 0.0 110.746 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.38 -35.03 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.41 -1.432 . . . . 0.0 109.448 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -60.16 -33.71 72.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.721 -1.237 . . . . 0.0 108.135 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.73 -30.46 61.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.0 109.694 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.86 -45.32 74.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.54 -0.725 . . . . 0.0 109.926 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.41 -42.99 70.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.031 -1.043 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -96.98 61.11 1.77 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.07 -8.96 11.07 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.45 -31.95 73.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.511 -0.993 . . . . 0.0 109.341 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' B' ' 23' ' ' ASP . 88.8 mt-10 -148.82 -45.13 0.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.544 -1.347 . . . . 0.0 110.111 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.27 12.27 0.29 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' B' ' 21' ' ' GLU . 25.1 t0 -47.9 -59.49 3.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -1.182 . . . . 0.0 108.613 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -90.15 177.66 6.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 9.2 p80 -122.84 47.2 2.0 Allowed 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -134.55 147.58 50.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 110.034 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 tp -122.21 142.4 50.47 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.86 154.76 19.26 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.936 -1.103 . . . . 0.0 109.584 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' B' ' 30' ' ' SER . 4.2 pttm -59.57 -40.13 86.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.094 -1.004 . . . . 0.0 109.938 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.652 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 36.0 p -57.08 -39.85 75.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.895 . . . . 0.0 111.046 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.652 ' N ' ' HG ' ' B' ' 30' ' ' SER . 78.8 mm-40 -82.01 -33.84 29.87 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.779 -1.201 . . . . 0.0 108.866 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.9 -46.5 89.15 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.76 -56.64 14.2 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.366 -1.459 . . . . 0.0 108.912 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.63 -36.03 14.96 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.207 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.9 tp -65.97 -39.96 90.84 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.952 -1.093 . . . . 0.0 109.602 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.434 HD11 HG22 ' B' ' 36' ' ' ILE . 66.2 mt -62.81 -40.3 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.795 -1.191 . . . . 0.0 109.569 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.73 -25.32 66.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.505 -0.747 . . . . 0.0 112.278 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.65 -17.91 12.02 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.958 -1.089 . . . . 0.0 111.734 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -97.83 -22.53 16.32 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.732 -1.23 . . . . 0.0 110.978 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.78 29.14 7.72 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.132 -0.98 . . . . 0.0 109.534 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.94 -26.64 61.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.476 -0.765 . . . . 0.0 110.169 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -74.01 -52.07 13.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.933 -1.104 . . . . 0.0 110.138 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -64.0 -23.26 67.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.513 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -30.97 6.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.266 -0.896 . . . . 0.0 109.062 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.77 -39.24 66.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.134 -0.979 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.29 58.21 4.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.411 -0.805 . . . . 0.0 109.646 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm -121.7 149.22 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.79 -50.66 0.49 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.347 -0.846 . . . . 0.0 109.022 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 51' ' ' GLU . 17.3 mt-10 -74.13 62.26 0.9 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 108.67 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.98 -24.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.429 -0.794 . . . . 0.0 110.33 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 49' ' ' GLU . 22.8 mt-10 -73.77 -22.63 59.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.117 -0.989 . . . . 0.0 110.078 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.11 -50.25 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.705 -1.247 . . . . 0.0 107.904 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.53 -33.7 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.907 -1.121 . . . . 0.0 109.125 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -60.01 -44.56 94.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.58 -26.03 64.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.77 -56.55 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.847 -1.158 . . . . 0.0 108.106 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.38 16.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.53 -34.48 21.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.802 -1.186 . . . . 0.0 109.505 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -67.76 -46.96 70.57 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.709 -1.244 . . . . 0.0 108.27 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.602 -1.311 . . . . 0.0 108.257 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.21 -24.12 6.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -0.979 . . . . 0.0 109.314 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -101.41 41.44 1.2 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 122.403 1.097 . . . . 0.0 109.348 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.606 ' C ' ' H ' ' B' ' 65' ' ' ASP . 25.5 t70 -43.95 -34.67 1.75 Allowed 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.79 -12.66 0.01 OUTLIER Glycine 0 N--CA 1.495 2.569 0 O-C-N 121.976 -0.453 . . . . 0.0 112.659 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.606 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.2 p30 -104.46 -31.24 9.57 Favored 'General case' 0 N--CA 1.513 2.688 0 CA-C-N 119.523 1.661 . . . . 0.0 111.936 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.52 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 105.39 -25.61 24.2 Favored Glycine 0 N--CA 1.499 2.89 0 O-C-N 119.878 -1.764 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.38 129.41 15.45 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.055 -1.262 . . . . 0.0 109.767 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 49.6 m -101.65 125.06 48.24 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.97 -1.081 . . . . 0.0 109.185 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 30.7 t70 -83.25 -174.72 5.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.197 -0.939 . . . . 0.0 109.887 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.508 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.5 t80 -74.84 -33.83 62.21 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -0.854 . . . . 0.0 108.847 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.27 -37.67 81.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.932 -1.105 . . . . 0.0 109.07 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.6 -25.82 61.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.971 . . . . 0.0 109.944 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.9 t80 -74.85 -41.54 59.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.857 . . . . 0.0 109.837 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -64.49 -48.5 74.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.105 -1.622 . . . . 0.0 108.036 179.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.97 63.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.394 -1.441 . . . . 0.0 111.007 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -70.18 -32.09 69.86 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.347 -1.471 . . . . 0.0 109.72 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 54.8 t -65.14 -34.28 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.193 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.1 p -71.25 -53.96 12.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.088 -1.008 . . . . 0.0 109.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.419 ' N ' ' OG ' ' B' ' 78' ' ' SER . 9.7 mtt -50.48 -39.47 48.34 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.203 -0.936 . . . . 0.0 110.673 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.13 -49.58 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.069 -1.019 . . . . 0.0 109.759 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.7 m -62.39 -41.53 98.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.163 -0.96 . . . . 0.0 108.897 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 78' ' ' SER . 17.6 p -67.74 -20.99 65.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 109.403 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.142 -0.974 . . . . 0.0 109.176 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 6.1 mp0 -57.48 -35.46 70.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.112 -0.992 . . . . 0.0 109.423 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.45 -52.29 65.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.745 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' OE1' ' CG ' ' B' ' 42' ' ' HIS . 28.8 mt-10 -49.89 -45.61 50.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.086 -1.009 . . . . 0.0 109.634 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -48.67 -44.39 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.729 0.776 . . . . 0.0 109.686 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.23 -28.74 47.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.734 -0.604 . . . . 0.0 110.837 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -61.57 -46.72 88.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.598 -1.314 . . . . 0.0 108.534 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.14 -35.06 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 110.217 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.72 76.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.01 -1.056 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.29 16.53 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.949 0.881 . . . . 0.0 109.642 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 92.5 mt -56.07 -38.72 54.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.663 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -70.13 -36.58 74.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.711 -1.243 . . . . 0.0 110.928 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.0 t -70.11 -35.52 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.297 -1.502 . . . . 0.0 109.208 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.81 -31.67 71.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.6 -1.313 . . . . 0.0 107.708 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 11' ' ' ILE . 21.6 m170 -72.83 -36.02 67.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.605 -0.685 . . . . 0.0 109.959 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.404 -0.81 . . . . 0.0 110.34 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.77 -43.61 62.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.881 -1.137 . . . . 0.0 109.253 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.88 60.99 1.52 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.235 -0.916 . . . . 0.0 110.132 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -7.84 11.31 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 107.448 -2.261 . . . . 0.0 107.448 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.44 -33.62 76.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.613 -0.933 . . . . 0.0 109.01 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' A' ' 23' ' ' ASP . 75.3 mt-10 -147.65 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.622 -1.298 . . . . 0.0 110.177 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.88 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 21' ' ' GLU . 31.0 t70 -49.92 -58.53 5.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -1.233 . . . . 0.0 108.26 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.9 169.6 11.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.495 ' CE1' ' HZ3' ' A' ' 26' ' ' LYS . 51.2 p-80 -118.04 47.82 1.51 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HZ3' ' CE1' ' A' ' 25' ' ' HIS . 50.9 mttp -132.51 146.41 51.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.781 -0.574 . . . . 0.0 110.095 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -123.45 143.07 50.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -91.89 155.01 18.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.873 -1.142 . . . . 0.0 109.824 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' A' ' 30' ' ' SER . 4.9 pttm -58.64 -39.98 82.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 109.961 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 19.0 t -57.74 -39.86 78.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.407 -0.808 . . . . 0.0 111.344 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -81.19 -39.05 26.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.826 -1.171 . . . . 0.0 109.03 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.0 -46.1 78.83 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.61 20.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.406 -1.434 . . . . 0.0 109.098 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.92 -35.2 10.22 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.713 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.09 -41.58 81.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.799 -1.188 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -56.04 -35.47 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.636 -1.29 . . . . 0.0 109.458 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.38 -45.75 82.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.438 -0.789 . . . . 0.0 111.568 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.79 -16.86 22.64 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.943 -1.098 . . . . 0.0 111.357 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -96.86 -28.12 14.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.802 -1.186 . . . . 0.0 110.836 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -118.74 32.88 5.9 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.17 -40.46 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CG ' ' OE1' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -68.91 -50.63 47.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.01 -1.056 . . . . 0.0 109.994 -179.503 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.69 -30.13 63.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.192 -0.943 . . . . 0.0 109.449 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.19 -22.38 0.99 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.435 -0.791 . . . . 0.0 109.839 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.92 -41.38 23.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 110.054 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.59 58.39 3.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 0.0 109.983 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -119.42 157.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.527 -0.733 . . . . 0.0 109.029 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -145.56 -51.59 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.138 -0.976 . . . . 0.0 108.986 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.31 65.98 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.22 -0.925 . . . . 0.0 108.684 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.84 -22.8 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.863 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -73.44 -22.13 60.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.865 -1.147 . . . . 0.0 110.197 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.43 -51.11 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.288 . . . . 0.0 107.798 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.49 -32.73 56.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.972 -1.08 . . . . 0.0 108.73 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.86 -47.29 87.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.414 -0.804 . . . . 0.0 109.843 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.81 -27.16 68.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.146 -0.971 . . . . 0.0 109.862 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.07 -55.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.704 -1.248 . . . . 0.0 108.153 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.67 -28.27 32.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 0.0 110.533 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.16 -34.24 20.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.772 -1.205 . . . . 0.0 109.508 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.86 -43.58 75.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.779 -1.201 . . . . 0.0 108.228 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.72 -57.37 12.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.73 -1.231 . . . . 0.0 108.317 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.61 -22.07 1.85 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.0 109.076 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.44 40.32 1.37 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 122.145 0.974 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 65' ' ' ASP . 19.1 t70 -44.65 -37.68 3.82 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-O 121.6 0.714 . . . . 0.0 109.889 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.05 -7.15 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.536 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 63' ' ' ASP . 43.6 m-20 -109.11 -8.99 15.07 Favored 'General case' 0 N--CA 1.512 2.656 0 CA-C-N 119.13 1.465 . . . . 0.0 112.476 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 79.33 -29.07 2.25 Favored Glycine 0 N--CA 1.493 2.485 0 O-C-N 119.622 -1.924 . . . . 0.0 110.691 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -145.8 130.01 17.58 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.02 -1.283 . . . . 0.0 110.048 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 74.5 m -103.53 125.0 49.82 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.188 -0.945 . . . . 0.0 108.809 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -81.28 -175.18 5.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 109.971 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.06 -35.07 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -55.01 -35.95 64.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.997 -1.064 . . . . 0.0 108.471 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.53 -24.48 61.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.68 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -75.26 -41.84 56.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.99 -53.96 26.36 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.245 -1.535 . . . . 0.0 108.404 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.75 -46.94 67.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.368 -1.458 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.45 -33.86 76.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.565 -1.335 . . . . 0.0 109.447 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.6 t -66.02 -33.24 62.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.3 t -71.17 -54.39 11.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 0.0 110.148 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 71.0 mtp -50.21 -39.4 44.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 110.876 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.62 -55.84 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.994 -1.066 . . . . 0.0 109.871 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.1 -40.21 73.35 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.921 -1.112 . . . . 0.0 108.594 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 78' ' ' SER . 38.7 p -73.92 -20.9 60.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 109.562 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.066 -1.021 . . . . 0.0 108.953 179.754 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 6.1 mp0 -57.43 -35.45 70.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 109.451 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.48 -52.24 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 109.759 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.428 ' OE1' ' CG ' ' A' ' 42' ' ' HIS . 28.9 mt-10 -49.94 -45.64 51.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.08 -1.012 . . . . 0.0 109.577 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -48.67 -44.35 37.63 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.736 0.779 . . . . 0.0 109.706 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.26 -28.66 47.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.736 -0.603 . . . . 0.0 110.888 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -61.65 -46.7 88.65 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.551 -1.343 . . . . 0.0 108.479 179.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.22 -34.97 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.49 -0.756 . . . . 0.0 110.177 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.78 76.39 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.064 -1.023 . . . . 0.0 109.371 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.25 16.65 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.915 0.864 . . . . 0.0 109.644 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 92.5 mt -56.04 -38.75 54.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.639 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -70.18 -36.59 74.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.756 -1.215 . . . . 0.0 110.87 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.09 -35.5 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.337 -1.477 . . . . 0.0 109.254 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.8 -31.68 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.637 -1.289 . . . . 0.0 107.716 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 11' ' ' ILE . 21.7 m170 -72.82 -36.02 67.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.665 -0.647 . . . . 0.0 109.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.9 70.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.397 -0.814 . . . . 0.0 110.322 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.75 -43.56 62.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.004 -1.06 . . . . 0.0 109.307 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.9 60.94 1.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -0.888 . . . . 0.0 110.129 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.9 -7.77 11.35 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 107.468 -2.253 . . . . 0.0 107.468 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.49 -33.54 75.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.568 -0.96 . . . . 0.0 109.0 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -147.71 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.674 -1.266 . . . . 0.0 110.18 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.9 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' B' ' 21' ' ' GLU . 31.0 t70 -49.96 -58.45 5.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.058 -1.26 . . . . 0.0 108.304 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.95 169.58 11.1 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.481 ' CE1' ' HZ3' ' B' ' 26' ' ' LYS . 51.2 p-80 -118.03 47.88 1.5 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.481 ' HZ3' ' CE1' ' B' ' 25' ' ' HIS . 50.9 mttp -132.55 146.44 51.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.728 -0.607 . . . . 0.0 110.081 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -123.53 143.1 50.4 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -91.88 155.0 18.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.9 -1.125 . . . . 0.0 109.837 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' B' ' 30' ' ' SER . 4.9 pttm -58.66 -39.94 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.977 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.418 ' H ' ' HG3' ' B' ' 29' ' ' LYS . 19.1 t -57.79 -39.86 78.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.438 -0.789 . . . . 0.0 111.325 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -81.14 -39.03 26.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.757 -1.214 . . . . 0.0 109.082 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.97 -46.13 78.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.68 19.96 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.484 -1.385 . . . . 0.0 109.093 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.82 -35.24 9.85 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.714 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.05 -41.6 81.78 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.742 -1.224 . . . . 0.0 109.451 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.17 -35.35 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.675 -1.265 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.46 -45.7 82.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 111.572 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.81 -16.86 22.62 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.877 -1.14 . . . . 0.0 111.369 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -96.86 -28.13 14.37 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.801 -1.187 . . . . 0.0 110.844 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -118.74 32.87 5.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.353 -0.842 . . . . 0.0 109.034 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.2 -40.53 71.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 0.0 110.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.413 ' CG ' ' OE1' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.89 -50.61 48.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.912 -1.118 . . . . 0.0 109.973 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.72 -30.1 63.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.141 -0.974 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.22 -22.36 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.384 -0.823 . . . . 0.0 109.794 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.97 -41.27 23.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.999 -1.063 . . . . 0.0 110.106 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.63 58.41 3.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 109.974 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -119.42 157.91 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.495 -0.753 . . . . 0.0 108.98 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -145.56 -51.52 0.25 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.2 -0.938 . . . . 0.0 109.022 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.35 66.0 5.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.899 . . . . 0.0 108.666 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.85 -22.84 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.833 . . . . 0.0 110.823 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.41 -22.13 60.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.914 -1.116 . . . . 0.0 110.184 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.44 -51.09 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.636 -1.29 . . . . 0.0 107.845 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.45 -32.8 56.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.005 -1.059 . . . . 0.0 108.753 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.81 -47.28 87.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.86 -27.2 68.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.04 -55.61 21.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.698 -1.251 . . . . 0.0 108.108 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.58 -28.35 31.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.21 -34.12 20.57 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.771 -1.206 . . . . 0.0 109.539 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.88 -43.59 75.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 108.252 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.82 -57.26 13.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.67 -1.268 . . . . 0.0 108.302 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.68 -21.99 1.85 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.116 -0.99 . . . . 0.0 109.061 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.43 40.35 1.37 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 122.206 1.003 . . . . 0.0 109.489 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.63 ' C ' ' H ' ' B' ' 65' ' ' ASP . 18.7 t70 -44.49 -37.82 3.73 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.4 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.98 -7.31 0.01 OUTLIER Glycine 0 N--CA 1.489 2.222 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.648 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.63 ' H ' ' C ' ' B' ' 63' ' ' ASP . 43.9 m-20 -109.11 -8.92 15.08 Favored 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 119.009 1.405 . . . . 0.0 112.497 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 79.41 -29.21 2.27 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 119.551 -1.968 . . . . 0.0 110.699 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -145.72 129.98 17.63 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.04 -1.271 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.488 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 74.7 m -103.54 125.04 49.84 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.178 -0.951 . . . . 0.0 108.786 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -81.33 -175.12 5.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.116 -0.99 . . . . 0.0 109.933 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.12 -35.06 64.09 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -55.02 -35.95 64.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.994 -1.067 . . . . 0.0 108.478 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.51 -24.43 61.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 109.722 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -75.24 -41.95 56.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 109.287 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.7 tpt -66.78 -54.05 26.65 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.308 -1.495 . . . . 0.0 108.443 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -46.93 67.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.386 -1.446 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.5 -33.79 75.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.591 -1.318 . . . . 0.0 109.466 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 22.5 t -66.1 -33.2 61.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.096 -1.002 . . . . 0.0 108.6 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.424 ' O ' ' OG1' ' B' ' 82' ' ' THR . 16.4 t -71.17 -54.42 11.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.923 . . . . 0.0 110.129 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 71.1 mtp -50.24 -39.39 44.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.908 . . . . 0.0 110.839 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.56 -55.84 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.035 -1.041 . . . . 0.0 109.91 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.08 -40.27 73.35 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.862 -1.149 . . . . 0.0 108.632 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 78' ' ' SER . 38.7 p -73.89 -20.88 60.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 109.592 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 108.996 179.72 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.71 -38.51 81.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.007 -1.058 . . . . 0.0 109.314 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.73 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.519 ' OE1' ' CE1' ' B' ' 42' ' ' HIS . 75.4 tt0 -51.1 -47.11 61.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.598 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.7 -44.81 58.14 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.849 0.833 . . . . 0.0 109.844 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.75 -29.94 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.797 -0.564 . . . . 0.0 111.325 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -46.12 86.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.589 -1.319 . . . . 0.0 108.627 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.53 -34.56 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.464 -0.772 . . . . 0.0 110.241 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -50.26 74.64 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.059 -1.026 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.41 -54.99 28.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.96 0.886 . . . . 0.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.69 -39.45 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.898 -0.501 . . . . 0.0 110.753 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.44 -35.49 70.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.84 -1.163 . . . . 0.0 110.686 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.53 -42.7 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.56 -1.338 . . . . 0.0 109.597 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.09 -33.82 63.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.616 -1.303 . . . . 0.0 108.505 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.53 -29.6 59.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.23 -45.12 75.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 110.035 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -71.63 -47.61 53.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.004 -1.06 . . . . 0.0 109.41 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 m -98.42 61.03 1.39 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.365 -0.834 . . . . 0.0 110.135 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.45 -12.92 5.96 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.46 -30.57 70.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -1.161 . . . . 0.0 109.081 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASP . 41.1 tt0 -148.16 -45.23 0.16 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.675 -1.266 . . . . 0.0 109.635 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.95 24.12 0.25 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.321 . . . . 0.0 108.289 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.69 174.39 7.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -120.86 50.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.17 145.04 51.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.802 -0.561 . . . . 0.0 109.65 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' CYS . 15.3 tp -118.8 141.7 48.39 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.53 16.8 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.089 -1.007 . . . . 0.0 109.758 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.26 -39.23 86.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.421 -0.799 . . . . 0.0 110.179 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -59.45 -41.86 90.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.75 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -42.11 33.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 109.099 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 tp -55.61 -42.46 74.9 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.93 -56.96 12.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.895 -1.128 . . . . 0.0 108.792 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -48.3 -35.63 12.65 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.941 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -65.98 -47.95 72.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.0 . . . . 0.0 108.743 179.179 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -52.62 -38.87 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.285 . . . . 0.0 109.481 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -61.87 -26.03 67.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.718 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -121.0 -2.83 9.66 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.411 -0.806 . . . . 0.0 110.493 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' LEU . 21.9 tt0 -98.85 -32.26 11.44 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.96 -1.087 . . . . 0.0 110.82 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.23 34.64 4.81 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.281 -0.887 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -70.57 -24.88 62.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.0 109.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CD2' ' OE1' ' B' ' 4' ' ' GLU . 55.8 m-70 -74.0 -42.9 59.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 110.244 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.65 -22.39 50.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.967 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.26 -27.34 2.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.318 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.25 -39.12 41.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 110.205 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.0 59.63 5.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.196 -0.94 . . . . 0.0 110.521 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.76 107.42 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.47 -0.769 . . . . 0.0 108.938 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -83.36 -57.16 3.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.053 -1.03 . . . . 0.0 108.787 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -75.5 113.9 13.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.076 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -88.88 -23.68 22.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.056 -1.028 . . . . 0.0 109.776 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.77 -24.84 58.75 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.267 -0.896 . . . . 0.0 111.324 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -74.73 -43.4 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.452 -1.405 . . . . 0.0 108.377 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.97 -34.08 64.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 120.651 -1.28 . . . . 0.0 108.658 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -57.34 -43.0 83.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.16 -27.09 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.154 -0.966 . . . . 0.0 109.884 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.27 -55.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.539 -1.351 . . . . 0.0 107.677 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -53.0 -28.62 24.83 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.65 -38.84 14.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.059 -1.025 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.09 -39.73 78.84 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.6 tp -69.17 -57.08 5.85 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.784 -1.197 . . . . 0.0 108.026 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -50.94 -18.25 0.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.084 -1.01 . . . . 0.0 109.135 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' LEU . 87.6 mt-10 -100.24 40.99 1.2 Allowed 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.308 1.052 . . . . 0.0 109.067 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' A' ' 65' ' ' ASP . 18.2 p-10 -45.01 -34.04 2.3 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.494 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.46 -6.14 0.01 OUTLIER Glycine 0 N--CA 1.499 2.844 0 O-C-N 121.974 -0.454 . . . . 0.0 112.111 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' A' ' 63' ' ' ASP . 54.0 t0 -104.39 -31.45 9.51 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 119.164 1.482 . . . . 0.0 111.926 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.24 -27.81 18.42 Favored Glycine 0 N--CA 1.499 2.85 0 O-C-N 119.873 -1.767 . . . . 0.0 109.049 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.59 130.6 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.213 -1.169 . . . . 0.0 109.769 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . 11.4 m -104.0 126.76 51.37 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.171 -0.955 . . . . 0.0 109.45 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 23.8 t70 -81.15 -172.3 3.69 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.919 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.502 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 26.4 t80 -74.3 -28.88 61.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.336 -0.853 . . . . 0.0 108.762 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -63.83 -36.11 82.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.862 -1.149 . . . . 0.0 108.477 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -71.98 -24.91 61.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.914 . . . . 0.0 109.689 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -73.21 -41.82 63.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.87 -51.8 55.71 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.292 -1.505 . . . . 0.0 108.416 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.27 46.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.306 -1.496 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -59.92 -36.89 77.98 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.885 -1.134 . . . . 0.0 109.223 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.85 -34.0 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 0.0 108.975 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.71 42.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.411 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.62 -36.53 35.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.975 -1.078 . . . . 0.0 110.487 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.84 -47.92 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.774 -1.204 . . . . 0.0 109.409 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.23 -36.87 74.82 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 108.841 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -69.25 -26.63 64.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 109.825 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.222 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.73 -38.42 81.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.051 -1.03 . . . . 0.0 109.313 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.83 -49.01 79.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.853 . . . . 0.0 109.027 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CD2' ' A' ' 42' ' ' HIS . 75.6 tt0 -51.14 -47.16 62.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.24 -0.912 . . . . 0.0 109.617 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.63 -44.8 57.45 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.813 0.816 . . . . 0.0 109.829 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.86 56.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.838 -0.539 . . . . 0.0 111.344 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -46.12 86.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.623 -1.298 . . . . 0.0 108.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.54 -34.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.534 -0.728 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.19 74.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.085 -1.009 . . . . 0.0 109.61 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 22.4 mt -53.52 -54.96 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.902 0.858 . . . . 0.0 110.543 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.7 -39.43 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.884 -0.51 . . . . 0.0 110.803 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.41 -35.54 71.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.867 -1.146 . . . . 0.0 110.75 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 77.8 t -69.47 -42.76 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.524 -1.36 . . . . 0.0 109.59 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.03 -33.87 63.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.613 -1.304 . . . . 0.0 108.531 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.55 -29.6 59.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 109.683 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -55.15 -45.16 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.084 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -71.7 -47.48 53.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 109.38 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -98.54 61.09 1.36 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.374 -0.829 . . . . 0.0 110.051 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.48 -12.88 5.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.55 -30.49 70.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -1.15 . . . . 0.0 109.055 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 23' ' ' ASP . 40.9 tt0 -148.13 -45.34 0.16 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.648 -1.283 . . . . 0.0 109.649 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 43.06 24.09 0.26 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.934 -1.333 . . . . 0.0 108.306 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.67 174.45 7.73 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -120.83 50.57 1.33 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.15 145.04 51.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.802 -0.561 . . . . 0.0 109.599 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' B' ' 68' ' ' CYS . 15.3 tp -118.78 141.69 48.4 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.54 16.79 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.076 -1.015 . . . . 0.0 109.764 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.24 -39.27 86.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -59.5 -41.84 90.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.0 110.709 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.05 -42.18 33.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.027 -1.046 . . . . 0.0 109.089 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.57 -42.48 74.79 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.96 -56.95 12.14 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.832 -1.167 . . . . 0.0 108.788 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -48.26 -35.62 12.42 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.977 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.6 OUTLIER -66.01 -47.92 72.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.05 -1.031 . . . . 0.0 108.772 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.7 -38.82 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.649 -1.282 . . . . 0.0 109.503 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -61.87 -26.0 67.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.867 . . . . 0.0 110.744 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -120.97 -2.94 9.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.404 -0.81 . . . . 0.0 110.504 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 35' ' ' LEU . 21.8 tt0 -98.74 -32.22 11.49 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.954 -1.091 . . . . 0.0 110.872 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -126.29 34.65 4.8 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.364 -0.835 . . . . 0.0 109.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -70.58 -24.88 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 109.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.519 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 56.0 m-70 -74.03 -42.89 59.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.982 . . . . 0.0 110.201 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.63 -22.41 50.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 110.016 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.32 -27.29 2.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.0 109.321 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.24 -39.2 41.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.138 -0.977 . . . . 0.0 110.161 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.98 59.61 5.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.109 -0.994 . . . . 0.0 110.48 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.75 107.46 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.769 . . . . 0.0 108.953 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -83.42 -57.13 3.38 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.078 -1.014 . . . . 0.0 108.745 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -75.52 113.84 13.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.075 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -88.83 -23.69 22.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.012 -1.055 . . . . 0.0 109.786 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.76 -24.82 58.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.263 -0.898 . . . . 0.0 111.329 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.75 -43.35 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.393 -1.442 . . . . 0.0 108.358 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.8 t -68.1 -33.93 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.649 -1.282 . . . . 0.0 108.668 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.41 -43.01 83.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.09 -27.12 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.24 -55.49 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.556 -1.34 . . . . 0.0 107.649 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -52.96 -28.58 24.39 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 0.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.67 -38.87 14.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.101 -0.999 . . . . 0.0 109.246 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.01 -39.77 79.1 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.6 tp -69.14 -57.14 5.79 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.815 -1.178 . . . . 0.0 107.959 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.89 -18.22 0.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.092 -1.005 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' B' ' 60' ' ' LEU . 87.7 mt-10 -100.25 41.03 1.19 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.341 1.067 . . . . 0.0 109.457 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.614 ' C ' ' H ' ' B' ' 65' ' ' ASP . 18.2 p-10 -44.84 -34.13 2.21 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.084 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.29 -6.18 0.01 OUTLIER Glycine 0 N--CA 1.492 2.416 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.365 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.614 ' H ' ' C ' ' B' ' 63' ' ' ASP . 54.1 t0 -104.39 -31.41 9.53 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 120.708 -1.466 . . . . 0.0 111.878 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 -27.83 18.31 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 119.97 -1.706 . . . . 0.0 109.022 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.61 130.6 15.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.187 -1.184 . . . . 0.0 109.718 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 11.5 m -104.02 126.88 51.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.154 -0.967 . . . . 0.0 109.41 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.513 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 23.8 t70 -81.27 -172.32 3.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.215 -0.928 . . . . 0.0 109.901 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.513 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 26.3 t80 -74.27 -28.87 61.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 108.806 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -63.82 -36.04 82.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.858 -1.151 . . . . 0.0 108.526 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.04 -24.91 61.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' B' ' 73' ' ' PHE . 1.0 OUTLIER -73.2 -41.89 63.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -0.849 . . . . 0.0 108.713 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.79 -51.84 55.72 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.285 -1.509 . . . . 0.0 108.487 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.29 46.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.249 -1.532 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.89 -36.96 78.04 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.877 -1.14 . . . . 0.0 109.181 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.76 -34.13 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.895 . . . . 0.0 108.951 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.72 41.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.58 -36.47 34.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 110.488 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 80.5 t -72.87 -47.96 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.719 -1.238 . . . . 0.0 109.367 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.17 -36.95 75.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.186 -0.947 . . . . 0.0 108.817 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -69.22 -26.65 64.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 109.844 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.179 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.83 -35.78 57.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.15 -0.968 . . . . 0.0 109.51 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.74 -53.27 49.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.256 -0.902 . . . . 0.0 109.991 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.69 -47.45 73.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.953 -1.092 . . . . 0.0 109.018 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.76 -43.36 58.28 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.711 0.767 . . . . 0.0 109.991 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.38 -35.87 54.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.75 -0.594 . . . . 0.0 111.614 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.57 -49.28 78.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.068 -1.645 . . . . 0.0 107.797 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -62.15 -35.28 68.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 108.706 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -60.24 -48.55 81.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.003 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.5 mp -44.85 -38.38 4.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 109.079 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.14 -38.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . 16.1 t70 -49.72 -54.86 16.35 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.722 0.772 . . . . 0.0 109.404 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.42 -35.92 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.669 -0.644 . . . . 0.0 110.722 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.1 -35.92 82.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.342 -1.474 . . . . 0.0 108.805 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -79.81 -30.48 40.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.478 -0.764 . . . . 0.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.78 -45.64 74.32 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.413 -0.804 . . . . 0.0 109.855 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.19 54.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.039 -1.038 . . . . 0.0 108.997 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -97.92 60.44 1.49 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.452 -0.78 . . . . 0.0 109.824 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.9 -13.83 5.88 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.93 -30.69 71.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.453 -1.028 . . . . 0.0 108.604 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.4 mt-10 -148.44 -44.8 0.15 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.66 -1.275 . . . . 0.0 109.758 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.27 16.35 0.16 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 23.4 t0 -48.55 -58.74 4.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -1.122 . . . . 0.0 108.234 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -89.98 159.75 16.73 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -111.66 46.43 1.12 Allowed 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -132.69 147.62 52.33 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.34 142.09 50.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.82 17.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.949 -1.094 . . . . 0.0 109.984 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.9 -38.83 79.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.882 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.61 -42.56 99.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -0.863 . . . . 0.0 110.905 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -33.85 63.14 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.914 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.88 -42.15 97.55 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.7 -57.36 11.8 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.521 -1.362 . . . . 0.0 108.771 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.57 -38.47 54.55 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.759 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.91 -38.45 86.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 36' ' ' ILE . 48.7 mt -62.04 -36.81 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.782 -1.199 . . . . 0.0 109.087 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.9 m-20 -63.79 -32.14 73.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.526 -0.734 . . . . 0.0 111.942 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -106.63 5.29 28.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.089 -1.007 . . . . 0.0 111.662 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.4 -27.25 4.12 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.926 -1.109 . . . . 0.0 111.084 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.2 mt -115.68 30.95 7.02 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.163 -0.961 . . . . 0.0 109.529 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 23.8 m -73.63 -26.76 60.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 42' ' ' HIS . 16.6 t-80 -73.4 -50.8 19.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.898 -1.126 . . . . 0.0 110.041 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -65.48 -26.63 68.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.25 -23.19 13.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.309 -0.869 . . . . 0.0 109.393 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.3 -41.35 34.09 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.972 -1.08 . . . . 0.0 109.527 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -87.82 60.78 6.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.94 101.61 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.442 -0.786 . . . . 0.0 109.069 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -84.32 -42.06 16.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.0 108.932 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.22 106.41 18.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 0.0 108.845 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.05 -22.01 29.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.874 -1.141 . . . . 0.0 110.743 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.28 -23.31 60.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.921 -1.112 . . . . 0.0 111.222 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.433 -1.417 . . . . 0.0 108.585 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.99 -34.61 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.582 -1.324 . . . . 0.0 108.696 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.06 -44.53 87.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.369 -0.832 . . . . 0.0 109.685 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.37 -26.31 64.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 109.908 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.73 -57.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.734 -1.229 . . . . 0.0 108.474 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.61 -25.76 11.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.07 -33.69 20.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.988 -1.07 . . . . 0.0 108.948 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -68.12 -47.59 67.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.826 -1.171 . . . . 0.0 108.049 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.25 -57.19 14.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 108.372 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -21.66 2.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.061 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -102.94 41.77 1.22 Allowed 'General case' 0 N--CA 1.499 1.982 0 CA-C-O 122.233 1.016 . . . . 0.0 109.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.607 ' C ' ' H ' ' A' ' 65' ' ' ASP . 28.2 t0 -43.97 -36.16 2.35 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.672 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.3 -10.77 0.01 OUTLIER Glycine 0 N--CA 1.496 2.698 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.403 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.607 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.7 p30 -106.86 -31.51 8.34 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 119.424 1.612 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.66 -25.45 26.65 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 119.916 -1.74 . . . . 0.0 109.496 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -150.14 129.77 13.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.939 -1.33 . . . . 0.0 110.361 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.404 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 3.7 m -104.95 126.89 52.49 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.18 -0.95 . . . . 0.0 108.829 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 31.2 t0 -83.31 -173.49 4.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.173 -0.954 . . . . 0.0 110.193 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 30.7 t80 -74.34 -27.03 60.5 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.3 -42.65 92.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.01 -24.9 65.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.22 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 26.5 t80 -76.37 -39.79 52.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.411 -0.806 . . . . 0.0 108.883 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.68 -28.07 65.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.56 -1.337 . . . . 0.0 108.749 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.15 -46.03 21.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.418 -1.426 . . . . 0.0 109.924 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -66.65 -32.59 74.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.58 -1.325 . . . . 0.0 109.068 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.569 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 21.7 t -62.77 -35.14 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.269 -0.894 . . . . 0.0 108.867 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -69.65 -51.95 30.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.7 mtp -49.75 -38.72 34.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.57 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.81 -45.27 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.121 -0.987 . . . . 0.0 109.624 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 m -69.58 -41.6 75.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 108.841 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 p -74.05 -22.73 59.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.931 -1.106 . . . . 0.0 108.828 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.88 -35.78 58.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.095 -1.003 . . . . 0.0 109.51 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -53.31 49.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 110.058 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -54.71 -47.4 73.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.978 -1.076 . . . . 0.0 109.004 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.79 -43.35 58.61 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.717 0.77 . . . . 0.0 109.976 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.42 -35.75 53.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.762 -0.586 . . . . 0.0 111.672 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.62 -49.29 78.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.043 -1.661 . . . . 0.0 107.76 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.14 -35.26 67.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 108.731 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -60.26 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 108.974 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.5 mp -44.79 -38.37 4.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.232 -0.918 . . . . 0.0 109.116 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.14 -38.79 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 9' ' ' ALA . 16.0 t70 -49.72 -54.85 16.41 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.714 0.769 . . . . 0.0 109.422 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.51 -35.87 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.693 -0.629 . . . . 0.0 110.709 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.339 -1.476 . . . . 0.0 108.831 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -79.8 -30.47 40.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.737 . . . . 0.0 109.721 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.74 -45.7 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.2 54.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.006 -1.059 . . . . 0.0 108.979 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.2 p -97.87 60.41 1.5 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.842 . . . . 0.0 109.878 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.95 -13.75 5.88 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.95 -30.77 71.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.444 -1.033 . . . . 0.0 108.589 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -148.37 -44.78 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.658 -1.276 . . . . 0.0 109.73 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.31 16.24 0.16 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 21' ' ' GLU . 23.4 t0 -48.45 -58.74 4.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -1.175 . . . . 0.0 108.264 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -90.01 159.84 16.66 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -111.68 46.4 1.13 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -132.69 147.65 52.33 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.36 142.12 50.29 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.81 17.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.969 -1.082 . . . . 0.0 110.019 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.518 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -58.94 -38.83 79.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.57 -42.58 99.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.422 -0.798 . . . . 0.0 110.921 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.36 -33.82 63.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.909 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.88 -42.14 97.55 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.8 -57.28 12.19 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.522 -1.362 . . . . 0.0 108.758 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.54 -38.55 54.75 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.772 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.89 -38.43 86.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -0.963 . . . . 0.0 109.295 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.424 HD11 HG22 ' B' ' 36' ' ' ILE . 48.7 mt -61.98 -36.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.768 -1.207 . . . . 0.0 109.105 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.9 m-20 -63.76 -32.18 73.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.494 -0.754 . . . . 0.0 111.921 -177.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -106.66 5.39 28.85 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.106 -0.996 . . . . 0.0 111.698 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -123.38 -27.31 4.11 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.95 -1.094 . . . . 0.0 111.073 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 mt -115.7 30.93 7.03 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.123 -0.985 . . . . 0.0 109.487 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 23.3 m -73.67 -26.69 60.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.0 110.124 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.41 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 16.6 t-80 -73.44 -50.82 19.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.911 -1.118 . . . . 0.0 109.978 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.44 -26.63 68.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -0.964 . . . . 0.0 109.716 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -23.25 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.404 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.22 -41.4 34.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.011 -1.056 . . . . 0.0 109.523 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -87.75 60.79 6.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.265 -0.897 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm -119.98 101.53 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.486 -0.759 . . . . 0.0 109.088 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -84.25 -42.06 16.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 108.968 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.19 106.41 18.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.205 -0.934 . . . . 0.0 108.819 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.11 -22.0 29.06 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.872 -1.143 . . . . 0.0 110.729 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -73.23 -23.29 60.35 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.899 -1.126 . . . . 0.0 111.217 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.404 -1.435 . . . . 0.0 108.608 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.94 -34.61 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.668 -1.27 . . . . 0.0 108.755 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.08 -44.45 87.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.393 -0.817 . . . . 0.0 109.691 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.41 -26.34 64.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.75 -57.25 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.758 -1.214 . . . . 0.0 108.45 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.47 -25.89 11.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.751 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.07 -33.65 20.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.056 -1.028 . . . . 0.0 108.866 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 m -68.22 -47.48 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.857 -1.152 . . . . 0.0 108.016 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -59.31 -57.14 14.31 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.645 -1.284 . . . . 0.0 108.385 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.09 -21.6 1.99 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.161 -0.962 . . . . 0.0 109.099 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -102.93 41.86 1.21 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.241 1.02 . . . . 0.0 109.437 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' B' ' 65' ' ' ASP . 28.2 t0 -44.02 -36.14 2.38 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.236 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.25 -10.91 0.01 OUTLIER Glycine 0 N--CA 1.494 2.518 0 O-C-N 122.002 -0.436 . . . . 0.0 112.482 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.7 p30 -106.82 -31.47 8.37 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-N 119.374 1.587 . . . . 0.0 112.273 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.73 -25.46 26.56 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 119.92 -1.738 . . . . 0.0 109.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -150.08 129.8 13.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.971 -1.311 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.94 52.54 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.246 -0.909 . . . . 0.0 108.857 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 31.1 t0 -83.33 -173.48 4.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.153 -0.967 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.514 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 30.7 t80 -74.36 -27.01 60.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.37 -42.59 92.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.147 -0.971 . . . . 0.0 108.796 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -24.87 65.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 109.208 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 26.4 t80 -76.4 -39.86 52.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.395 -0.816 . . . . 0.0 108.819 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.61 -28.1 65.65 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.493 -1.379 . . . . 0.0 108.803 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.14 -45.99 21.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.423 -1.423 . . . . 0.0 109.953 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.74 -32.53 73.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.541 -1.349 . . . . 0.0 109.04 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.564 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 21.7 t -62.77 -35.17 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 108.857 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.66 -52.01 29.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.149 -0.97 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 51.5 mtp -49.7 -38.7 34.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.293 -0.879 . . . . 0.0 110.568 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.85 -45.24 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.012 -1.055 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.7 m -69.51 -41.64 75.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.955 -1.091 . . . . 0.0 108.873 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 p -74.08 -22.74 59.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.991 -1.068 . . . . 0.0 108.846 179.784 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.07 70.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.45 -49.15 78.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.438 -0.788 . . . . 0.0 109.548 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.41 -47.54 62.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.973 -1.08 . . . . 0.0 109.289 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.52 -44.98 56.42 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.878 0.847 . . . . 0.0 109.516 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.73 -36.88 59.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.881 -0.512 . . . . 0.0 111.012 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.91 79.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.377 -1.452 . . . . 0.0 107.748 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.04 -36.57 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.192 -0.942 . . . . 0.0 108.615 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.87 -47.37 85.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -45.73 -43.6 13.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.091 -1.006 . . . . 0.0 109.224 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.7 mp -64.64 -39.78 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 29.7 t0 -51.32 -54.07 29.83 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.545 0.688 . . . . 0.0 109.995 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.44 -45.4 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.553 -0.717 . . . . 0.0 110.725 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.32 -33.65 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.616 -1.302 . . . . 0.0 108.949 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.0 -30.88 31.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.512 -0.743 . . . . 0.0 110.078 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -53.63 -44.79 69.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 0.0 109.657 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.66 -46.86 44.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.147 -0.971 . . . . 0.0 108.814 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -99.54 57.51 1.03 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -0.794 . . . . 0.0 109.92 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.33 -13.73 6.21 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 107.794 -2.123 . . . . 0.0 107.794 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -64.02 -29.24 70.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.465 -1.021 . . . . 0.0 108.809 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 38.2 mt-10 -147.48 -46.1 0.17 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.675 -1.266 . . . . 0.0 109.944 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.75 14.84 0.13 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.7 t0 -47.98 -53.49 15.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -1.186 . . . . 0.0 108.654 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -89.59 -179.62 5.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 19.7 t-160 -131.69 43.96 2.98 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.54 150.92 49.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.691 -0.631 . . . . 0.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' CYS . 18.0 tp -121.14 143.35 49.15 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -93.04 154.89 17.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.881 -1.137 . . . . 0.0 109.755 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HG3' ' H ' ' A' ' 30' ' ' SER . 14.8 pttt -58.53 -40.97 84.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.231 -0.918 . . . . 0.0 109.908 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 60.2 m -58.62 -40.04 82.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.369 -0.832 . . . . 0.0 111.104 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.62 -35.89 44.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 108.969 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.96 -44.05 94.67 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -53.0 -57.68 9.54 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.56 -1.338 . . . . 0.0 108.523 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -51.48 -38.7 55.15 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.82 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -67.63 -38.23 83.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.206 -0.934 . . . . 0.0 109.602 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 36' ' ' ILE . 42.3 mt -59.63 -33.52 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.953 -1.092 . . . . 0.0 109.223 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -67.3 -45.73 75.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 112.045 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.53 5.1 47.0 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.862 -1.149 . . . . 0.0 111.686 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.98 -25.42 4.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.941 -1.099 . . . . 0.0 110.475 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.6 29.26 7.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.246 -0.909 . . . . 0.0 109.738 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.1 p -72.18 -53.09 13.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.585 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 41' ' ' SER . 70.4 t60 -54.88 -50.34 68.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -61.35 -29.32 69.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 109.415 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.39 -29.0 3.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.576 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -79.7 -40.39 29.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.26 57.55 4.31 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.13 -0.981 . . . . 0.0 110.656 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.57 126.3 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 4.0 mptp? -93.15 -58.45 2.31 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.444 -0.785 . . . . 0.0 109.304 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.14 108.22 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 0.0 109.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.9 -23.04 31.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.219 -0.925 . . . . 0.0 109.418 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.57 -20.58 61.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 0.0 109.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.15 -47.25 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.89 -32.47 54.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.033 -1.042 . . . . 0.0 109.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.97 90.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.402 -0.811 . . . . 0.0 110.365 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -69.58 -26.18 64.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.211 -0.931 . . . . 0.0 110.11 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -56.55 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.771 -1.206 . . . . 0.0 108.419 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.86 -25.6 12.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.325 -0.859 . . . . 0.0 109.988 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.08 -34.03 19.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.811 -1.18 . . . . 0.0 109.254 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -69.02 -48.32 63.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.865 -1.147 . . . . 0.0 108.076 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.44 -56.97 15.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.556 -1.34 . . . . 0.0 107.724 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.36 -23.3 2.27 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.288 -0.882 . . . . 0.0 109.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -102.3 40.21 1.38 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 122.103 0.954 . . . . 0.0 109.401 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' A' ' 65' ' ' ASP . 30.5 t0 -44.49 -35.87 2.69 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 121.617 0.722 . . . . 0.0 109.612 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.53 -8.3 0.01 OUTLIER Glycine 0 N--CA 1.495 2.579 0 C-N-CA 121.224 -0.512 . . . . 0.0 111.947 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' A' ' 63' ' ' ASP . 11.7 t70 -104.81 -31.24 9.4 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 119.348 1.574 . . . . 0.0 111.941 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.35 -26.83 23.14 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 119.887 -1.758 . . . . 0.0 109.387 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -146.9 129.15 15.71 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -1.175 . . . . 0.0 109.574 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' LEU . 4.0 m -102.61 125.76 49.45 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 109.0 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 6.9 p30 -83.62 -173.27 4.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.313 -0.867 . . . . 0.0 110.278 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -75.34 -34.23 61.18 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.78 -38.1 77.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.961 -1.087 . . . . 0.0 108.644 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.1 mm-40 -71.76 -24.47 61.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.455 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -72.43 -40.36 67.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 5.5 mmt -66.74 -54.24 24.95 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.406 -1.434 . . . . 0.0 108.457 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.55 70.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.384 -1.448 . . . . 0.0 111.209 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -69.08 -35.56 76.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.648 -1.282 . . . . 0.0 109.728 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.75 -32.54 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.82 -52.91 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.896 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.52 -39.93 36.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.48 -47.21 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.007 -1.058 . . . . 0.0 109.316 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -63.44 -41.01 98.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.235 -0.915 . . . . 0.0 108.65 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.4 p -74.34 -20.82 59.96 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.752 . . . . 0.0 109.831 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.968 -1.083 . . . . 0.0 108.43 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.01 70.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 109.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.48 -49.15 78.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.436 -0.79 . . . . 0.0 109.571 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.37 -47.56 62.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.948 -1.095 . . . . 0.0 109.304 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.55 -44.94 56.69 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 109.491 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.76 -36.88 59.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.863 -0.523 . . . . 0.0 111.02 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.89 79.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.445 -1.409 . . . . 0.0 107.769 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -62.0 -36.58 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.222 -0.924 . . . . 0.0 108.619 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -58.93 -47.27 85.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.303 -0.873 . . . . 0.0 109.399 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.3 mp -45.78 -43.62 13.29 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.102 -0.998 . . . . 0.0 109.227 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' B' ' 11' ' ' ILE . 1.7 mp -64.59 -39.78 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 9' ' ' ALA . 29.9 t0 -51.39 -54.08 30.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.565 0.697 . . . . 0.0 109.991 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.4 -45.43 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.483 -0.761 . . . . 0.0 110.765 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.28 -33.64 59.11 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.575 -1.328 . . . . 0.0 108.987 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -82.08 -30.74 31.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.104 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.7 -44.76 70.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.191 -0.943 . . . . 0.0 109.684 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.64 -46.93 43.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.1 -1.0 . . . . 0.0 108.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.4 p -99.5 57.48 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.527 -0.733 . . . . 0.0 109.959 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.24 -13.78 6.24 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 107.835 -2.106 . . . . 0.0 107.835 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.94 -29.27 70.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.47 -1.018 . . . . 0.0 108.846 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 38.2 mt-10 -147.5 -45.99 0.17 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.695 -1.253 . . . . 0.0 109.98 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.71 14.85 0.13 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.7 t0 -48.03 -53.45 16.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.166 . . . . 0.0 108.654 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -89.57 -179.62 5.84 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 19.7 t-160 -131.77 43.99 2.97 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.6 150.93 49.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.691 -0.63 . . . . 0.0 109.359 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 68' ' ' CYS . 18.0 tp -121.15 143.32 49.17 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -92.99 154.86 17.9 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.873 -1.142 . . . . 0.0 109.775 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' B' ' 30' ' ' SER . 14.8 pttt -58.47 -41.02 84.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.201 -0.937 . . . . 0.0 109.948 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.414 ' H ' ' HG3' ' B' ' 29' ' ' LYS . 60.3 m -58.61 -40.04 82.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.821 . . . . 0.0 111.112 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.63 -35.93 44.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.927 -1.108 . . . . 0.0 108.952 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.88 -44.07 94.38 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -52.96 -57.72 9.38 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.573 -1.329 . . . . 0.0 108.496 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -51.52 -38.69 55.33 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.384 -0.926 . . . . 0.0 108.812 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.67 -38.23 83.47 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.178 -0.951 . . . . 0.0 109.545 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.62 -33.51 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.871 -1.143 . . . . 0.0 109.266 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.29 -45.76 75.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.257 -0.902 . . . . 0.0 112.019 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.5 5.04 47.2 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.805 -1.184 . . . . 0.0 111.733 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.95 -25.43 4.58 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.996 -1.065 . . . . 0.0 110.494 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.62 29.27 7.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.336 -0.853 . . . . 0.0 109.667 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 4.1 p -72.1 -53.15 13.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.422 ' N ' ' OG ' ' B' ' 41' ' ' SER . 70.3 t60 -54.93 -50.27 69.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.057 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -61.36 -29.38 69.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.364 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.39 -28.97 3.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.577 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -79.74 -40.4 28.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.053 -1.03 . . . . 0.0 110.381 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.29 57.58 4.33 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.213 -0.929 . . . . 0.0 110.665 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.52 126.34 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 4.0 mptp? -93.13 -58.51 2.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.763 . . . . 0.0 109.307 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.12 108.26 5.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 0.0 109.758 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.01 -22.94 31.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.72 -20.46 61.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.141 -0.974 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.18 -47.32 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.698 -1.251 . . . . 0.0 107.668 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.82 -32.48 54.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.088 -1.007 . . . . 0.0 109.496 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.99 90.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.781 . . . . 0.0 110.392 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -69.6 -26.14 64.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.076 -1.015 . . . . 0.0 110.139 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.22 -56.59 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 120.728 -1.232 . . . . 0.0 108.424 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.91 -25.57 12.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.4 -0.813 . . . . 0.0 109.976 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.02 -34.13 19.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.873 -1.142 . . . . 0.0 109.27 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.96 -48.35 63.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.865 -1.147 . . . . 0.0 108.069 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.46 -56.92 15.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.576 -1.328 . . . . 0.0 107.742 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.37 -23.31 2.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -102.17 40.18 1.38 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.105 0.955 . . . . 0.0 109.717 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.616 ' C ' ' H ' ' B' ' 65' ' ' ASP . 29.1 t0 -44.33 -35.97 2.59 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.161 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.4 -8.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.279 0 C-N-CA 121.152 -0.546 . . . . 0.0 112.13 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.616 ' H ' ' C ' ' B' ' 63' ' ' ASP . 11.8 t70 -104.74 -31.31 9.4 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 119.237 1.518 . . . . 0.0 111.934 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.45 -26.89 22.91 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 119.898 -1.751 . . . . 0.0 109.403 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -146.92 129.13 15.67 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.182 -1.187 . . . . 0.0 109.615 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' B' ' 27' ' ' LEU . 4.0 m -102.64 125.86 49.52 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.01 -1.056 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -83.72 -173.18 4.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.24 -0.912 . . . . 0.0 110.293 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.42 -34.21 60.99 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.75 -38.14 77.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 108.61 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.77 -24.52 61.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.426 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -72.47 -40.27 67.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.206 -0.934 . . . . 0.0 108.741 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 5.5 mmt -66.76 -54.2 25.26 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.399 -1.438 . . . . 0.0 108.478 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.49 70.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.362 -1.461 . . . . 0.0 111.227 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.14 -35.6 76.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.685 -1.259 . . . . 0.0 109.685 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.68 -32.5 57.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.94 -52.84 15.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.0 109.834 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.59 -39.91 36.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.216 -0.928 . . . . 0.0 110.446 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.46 -47.17 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m -63.42 -41.08 98.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.237 -0.914 . . . . 0.0 108.599 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -74.34 -20.81 59.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.552 -0.717 . . . . 0.0 109.832 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.105 . . . . 0.0 108.399 179.66 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.36 -34.09 73.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.138 -0.976 . . . . 0.0 109.386 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.7 -48.0 83.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.283 -0.886 . . . . 0.0 109.421 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.89 -43.97 49.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.076 -1.015 . . . . 0.0 109.339 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.51 -42.29 54.7 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.863 0.84 . . . . 0.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.5 57.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.792 -0.567 . . . . 0.0 111.175 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -47.06 76.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.498 -1.376 . . . . 0.0 108.038 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.48 -37.23 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.231 -0.918 . . . . 0.0 109.511 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -47.98 80.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.125 -0.984 . . . . 0.0 108.826 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -47.68 -48.46 29.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 109.093 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.21 -43.55 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.1 -50.82 47.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.581 0.705 . . . . 0.0 110.175 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.54 -46.24 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.312 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.97 -35.25 64.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.26 -1.525 . . . . 0.0 109.033 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -77.62 -31.63 52.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 0.0 110.045 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.36 74.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.911 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -71.31 -45.37 63.2 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.997 -1.064 . . . . 0.0 109.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -99.96 60.91 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.07 -13.87 6.28 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.52 -31.67 72.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -1.026 . . . . 0.0 108.86 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 53.3 mm-40 -145.04 -44.99 0.23 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.682 -1.261 . . . . 0.0 109.741 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.85 15.11 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.1 t70 -47.69 -61.43 1.94 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -1.177 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -89.79 177.97 6.37 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 30.3 p-80 -124.69 46.49 2.31 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.18 148.59 52.03 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.812 -0.555 . . . . 0.0 109.646 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 tp -124.48 140.94 52.48 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -94.31 150.58 20.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.079 -1.013 . . . . 0.0 109.997 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.05 82.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.827 . . . . 0.0 110.573 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.38 -42.29 86.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.14 -33.56 33.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.083 -1.01 . . . . 0.0 108.454 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.11 -46.01 90.94 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.42 14.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 108.806 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.56 -34.94 8.32 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.455 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.36 -41.04 81.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.928 -1.107 . . . . 0.0 109.3 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.49 -44.2 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.749 -1.219 . . . . 0.0 109.802 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.2 m-20 -58.72 -52.18 66.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -0.881 . . . . 0.0 111.125 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -88.0 1.96 52.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.232 -0.918 . . . . 0.0 111.242 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.76 -30.08 9.65 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.972 -1.08 . . . . 0.0 110.819 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.6 mt -122.99 25.44 8.56 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.314 -0.866 . . . . 0.0 109.856 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.57 -58.98 5.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.412 -0.805 . . . . 0.0 109.699 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.712 ' H ' ' HD1' ' A' ' 42' ' ' HIS . 3.7 m80 -62.49 -43.62 98.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -29.29 67.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.56 -48.27 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 0.0 109.884 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.19 -36.91 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 110.111 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.33 58.05 3.91 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.199 -0.938 . . . . 0.0 110.872 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.436 HG22 HD11 ' A' ' 47' ' ' ILE . 88.5 mt -126.37 158.57 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.292 -0.88 . . . . 0.0 108.874 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 56.4 mttp -145.61 -42.74 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.105 -0.997 . . . . 0.0 108.674 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.92 64.24 8.54 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.79 -30.05 1.53 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.416 -0.802 . . . . 0.0 110.954 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.45 -24.26 61.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.102 -0.999 . . . . 0.0 110.346 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.61 -48.81 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.39 -31.55 53.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 108.643 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.9 -47.95 84.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.462 -0.774 . . . . 0.0 109.97 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' OG1' ' A' ' 59' ' ' THR . 45.5 mttp -66.51 -27.06 67.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.009 . . . . 0.0 109.572 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.14 -56.1 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.693 -1.255 . . . . 0.0 107.895 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.22 -29.85 34.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.493 -0.754 . . . . 0.0 109.768 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -86.98 -37.53 17.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.908 -1.12 . . . . 0.0 109.215 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 13.8 m -68.01 -43.89 77.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' C ' ' N ' ' A' ' 62' ' ' GLU . 7.7 tp -64.47 -57.14 10.06 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 108.034 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.15 -19.09 0.68 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.168 -0.958 . . . . 0.0 109.023 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 60' ' ' LEU . 8.8 mm-40 -102.42 42.37 1.15 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.283 1.04 . . . . 0.0 109.002 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' A' ' 65' ' ' ASP . 24.2 p-10 -44.18 -34.79 1.96 Allowed 'General case' 0 C--N 1.274 -2.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.661 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -8.8 0.01 OUTLIER Glycine 0 N--CA 1.498 2.803 0 O-C-N 122.041 -0.412 . . . . 0.0 112.332 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' A' ' 63' ' ' ASP . 3.7 p30 -104.71 -31.45 9.35 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 119.386 1.593 . . . . 0.0 111.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 103.2 -27.3 20.63 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 119.949 -1.719 . . . . 0.0 109.369 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.49 130.95 16.69 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.179 -1.189 . . . . 0.0 109.543 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 m -107.9 127.81 54.06 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.128 -0.982 . . . . 0.0 109.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 14.6 t70 -83.79 -172.24 4.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.254 -0.903 . . . . 0.0 109.885 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.475 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 24.1 t80 -73.24 -37.41 66.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.372 -0.83 . . . . 0.0 108.838 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.925 -1.109 . . . . 0.0 108.995 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.91 -24.79 60.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.164 -0.96 . . . . 0.0 109.978 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -76.15 -39.91 53.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.201 -0.937 . . . . 0.0 109.378 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.15 -28.86 65.69 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.44 -1.413 . . . . 0.0 109.318 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.15 -56.58 4.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.258 -1.527 . . . . 0.0 110.775 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.75 -32.6 65.75 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.541 -1.349 . . . . 0.0 109.575 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -69.94 -32.86 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.639 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 82' ' ' THR . 23.0 t -69.14 -48.18 63.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.123 -0.985 . . . . 0.0 110.261 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.3 mtt -54.21 -53.03 59.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.842 -1.161 . . . . 0.0 110.082 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.6 -48.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.286 -0.884 . . . . 0.0 109.567 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.49 ' H ' ' HG1' ' A' ' 81' ' ' THR . 3.0 p -68.1 -40.13 82.68 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.076 -1.015 . . . . 0.0 108.576 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 78' ' ' SER . 7.2 m -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.915 . . . . 0.0 108.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.33 -34.09 73.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.39 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.71 -48.06 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.402 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.9 -43.91 49.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 0.0 109.316 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.58 -42.26 55.46 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.845 0.831 . . . . 0.0 109.761 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.36 -29.49 57.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.783 -0.573 . . . . 0.0 111.2 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -46.98 76.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.512 -1.368 . . . . 0.0 108.13 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.56 -37.17 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.493 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.94 80.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.995 . . . . 0.0 108.847 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -47.74 -48.44 29.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 0.0 109.026 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.33 -43.48 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.08 -50.82 46.81 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.544 0.688 . . . . 0.0 110.167 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.59 -46.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.535 -0.728 . . . . 0.0 111.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -54.95 -35.31 64.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.215 -1.553 . . . . 0.0 108.984 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -77.6 -31.68 53.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.5 -0.75 . . . . 0.0 110.016 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.4 74.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.824 . . . . 0.0 109.937 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -71.21 -45.43 63.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.07 . . . . 0.0 109.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -99.99 60.89 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.359 -0.838 . . . . 0.0 110.167 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.02 -13.88 6.31 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.874 -2.09 . . . . 0.0 107.874 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.55 -31.58 72.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.511 -0.993 . . . . 0.0 108.93 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 53.4 mm-40 -145.04 -45.06 0.23 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.646 -1.284 . . . . 0.0 109.762 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.92 15.03 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 11.1 t70 -47.6 -61.53 1.88 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.24 -1.153 . . . . 0.0 108.599 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -89.73 178.04 6.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 30.4 p-80 -124.73 46.45 2.32 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.1 148.61 51.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.81 -0.556 . . . . 0.0 109.618 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 68' ' ' CYS . 19.3 tp -124.5 140.94 52.47 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -94.29 150.53 20.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.993 -1.067 . . . . 0.0 110.021 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.1 82.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.35 -42.28 86.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.13 -33.56 33.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.022 . . . . 0.0 108.463 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.1 -46.07 90.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.38 14.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.485 -1.384 . . . . 0.0 108.847 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.57 -34.94 8.37 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.448 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.34 -41.09 81.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 109.291 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.55 -44.16 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.799 -1.188 . . . . 0.0 109.749 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m-20 -58.74 -52.24 66.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 111.02 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -87.93 1.96 52.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.238 -0.914 . . . . 0.0 111.282 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.78 -30.07 9.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.963 -1.086 . . . . 0.0 110.837 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 66.5 mt -123.04 25.44 8.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.35 -0.844 . . . . 0.0 109.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -55.58 -59.04 5.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.838 . . . . 0.0 109.656 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.7 ' H ' ' HD1' ' B' ' 42' ' ' HIS . 3.7 m80 -62.45 -43.58 98.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.087 -1.008 . . . . 0.0 109.741 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -29.29 67.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.882 . . . . 0.0 109.09 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.52 -48.31 27.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.517 -0.74 . . . . 0.0 109.889 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.11 -36.95 61.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.95 -1.094 . . . . 0.0 110.146 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.34 58.06 3.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.166 -0.959 . . . . 0.0 110.898 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -126.31 158.57 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.31 -0.868 . . . . 0.0 108.92 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -145.64 -42.82 0.22 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.183 -0.948 . . . . 0.0 108.634 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.88 64.2 8.49 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.71 -30.08 1.48 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 111.005 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.43 -24.26 62.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.991 -1.068 . . . . 0.0 110.313 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.68 -48.72 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.44 -31.51 53.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.065 -1.022 . . . . 0.0 108.637 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.97 -47.92 84.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' B' ' 59' ' ' THR . 45.5 mttp -66.46 -27.09 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.027 . . . . 0.0 109.601 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.14 -56.11 18.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 120.696 -1.253 . . . . 0.0 107.885 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.25 -29.83 34.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.751 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -86.92 -37.58 17.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.927 -1.108 . . . . 0.0 109.228 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 13.8 m -68.01 -43.9 77.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' B' ' 62' ' ' GLU . 7.8 tp -64.5 -57.16 9.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.794 -1.191 . . . . 0.0 107.999 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.06 -19.05 0.65 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.159 -0.963 . . . . 0.0 109.082 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 60' ' ' LEU . 8.8 mm-40 -102.53 42.49 1.14 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 122.327 1.06 . . . . 0.0 109.188 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.599 ' C ' ' H ' ' B' ' 65' ' ' ASP . 24.0 p-10 -44.05 -34.94 1.91 Allowed 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.341 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' B' ' 63' ' ' ASP . . . 51.09 -8.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 C-N-CA 121.44 -0.41 . . . . 0.0 112.526 178.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' B' ' 63' ' ' ASP . 3.6 p30 -104.71 -31.49 9.33 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.288 1.544 . . . . 0.0 111.973 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 103.29 -27.35 20.35 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.919 -1.738 . . . . 0.0 109.333 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.46 130.95 16.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.147 -1.208 . . . . 0.0 109.543 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 27' ' ' LEU . 7.0 m -107.87 127.76 54.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 109.483 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 14.6 t70 -83.75 -172.28 4.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.206 -0.934 . . . . 0.0 109.914 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.476 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 24.2 t80 -73.25 -37.38 66.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.384 -0.822 . . . . 0.0 108.812 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.897 -1.127 . . . . 0.0 108.965 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -72.91 -24.82 60.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 109.936 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -76.19 -39.96 53.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.185 -0.947 . . . . 0.0 109.36 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.09 -28.88 65.77 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.431 -1.418 . . . . 0.0 109.324 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.07 -56.67 4.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.213 -1.554 . . . . 0.0 110.816 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.79 -32.5 65.74 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.548 -1.345 . . . . 0.0 109.625 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.95 -32.84 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.0 109.642 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' B' ' 82' ' ' THR . 23.0 t -69.23 -48.15 62.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.02 . . . . 0.0 110.238 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.2 mtt -54.13 -53.1 57.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.871 -1.143 . . . . 0.0 110.121 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.67 -48.35 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.474 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.454 ' H ' ' HG1' ' B' ' 81' ' ' THR . 3.0 p -68.04 -40.15 82.92 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.066 -1.021 . . . . 0.0 108.599 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 78' ' ' SER . 7.2 m -72.17 -19.62 61.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.426 -0.796 . . . . 0.0 109.252 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.97 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.57 -33.2 67.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.172 -0.955 . . . . 0.0 109.811 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.68 -43.9 95.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.46 -48.16 66.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.825 -1.172 . . . . 0.0 108.987 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.1 -42.5 50.38 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.721 0.772 . . . . 0.0 110.128 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.82 55.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.631 -0.668 . . . . 0.0 111.133 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.56 -48.21 80.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.418 -1.426 . . . . 0.0 107.955 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.88 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.3 -0.875 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.99 -48.07 81.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 108.363 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mt -46.14 -40.92 11.8 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.259 -0.901 . . . . 0.0 108.977 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.47 -40.94 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.2 t70 -49.86 -52.4 32.95 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.689 0.757 . . . . 0.0 109.865 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.8 t -76.72 -34.18 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.572 -0.705 . . . . 0.0 111.297 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.66 -35.52 81.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.324 -1.485 . . . . 0.0 109.323 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.05 -31.28 39.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 0.0 109.874 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -53.8 -45.19 70.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.392 -0.817 . . . . 0.0 109.542 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -72.86 -48.04 40.95 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.151 -0.968 . . . . 0.0 109.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -98.12 60.45 1.44 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.314 -0.866 . . . . 0.0 109.805 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.27 -11.94 7.15 Favored Glycine 0 N--CA 1.503 3.142 0 N-CA-C 108.119 -1.993 . . . . 0.0 108.119 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -63.7 -30.49 71.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.495 -1.003 . . . . 0.0 109.092 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 39.1 mt-10 -147.91 -44.93 0.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.665 -1.272 . . . . 0.0 110.012 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.48 14.12 0.18 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 46.1 t0 -47.56 -58.97 3.6 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -1.147 . . . . 0.0 108.459 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.97 176.42 7.66 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.12 46.08 2.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -132.57 149.57 52.29 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.264 0.554 . . . . 0.0 109.994 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 68' ' ' CYS . 19.1 tp -126.25 144.54 50.75 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -94.29 157.45 16.04 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.026 -1.046 . . . . 0.0 110.241 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' H ' ' A' ' 30' ' ' SER . 5.2 pttp -60.6 -40.09 90.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.336 -0.852 . . . . 0.0 110.218 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 83.3 p -58.56 -40.84 84.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.855 . . . . 0.0 111.035 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' N ' ' HG ' ' A' ' 30' ' ' SER . 42.5 mt-10 -77.72 -41.26 38.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.99 -1.069 . . . . 0.0 108.868 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.16 -44.33 75.08 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' NZ ' ' CE ' ' A' ' 57' ' ' MET . 59.2 tttp -51.07 -55.96 14.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.404 -1.435 . . . . 0.0 108.972 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.33 -35.4 12.32 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.564 -0.855 . . . . 0.0 109.924 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.74 -43.83 79.01 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.659 -1.276 . . . . 0.0 109.36 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 mt -54.67 -35.76 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.706 -1.246 . . . . 0.0 109.793 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.06 -35.75 80.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.888 . . . . 0.0 111.755 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.62 -19.88 14.64 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.969 -1.082 . . . . 0.0 111.487 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -101.03 -26.38 13.73 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.847 -1.158 . . . . 0.0 110.255 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -116.11 26.14 10.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.331 -0.855 . . . . 0.0 109.247 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.7 p -67.38 -51.63 49.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.864 . . . . 0.0 109.785 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.403 ' N ' ' OG ' ' A' ' 41' ' ' SER . 76.5 t60 -53.84 -40.54 66.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.126 -0.984 . . . . 0.0 110.019 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.96 -29.71 64.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.002 -1.062 . . . . 0.0 109.635 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -25.88 6.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.186 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.6 37.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.005 -1.059 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.08 60.36 6.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.026 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -120.39 110.84 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.442 -0.786 . . . . 0.0 109.339 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 12.2 mptt -93.35 -49.65 5.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.197 -0.94 . . . . 0.0 109.147 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' GLU . 20.5 mt-10 -82.58 67.99 8.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.515 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -45.89 -21.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' GLU . 33.7 mt-10 -75.38 -23.35 57.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.247 -0.908 . . . . 0.0 110.073 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.25 -49.35 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.664 -1.272 . . . . 0.0 107.864 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.75 -33.75 63.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.971 -1.081 . . . . 0.0 108.693 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -58.66 -45.88 88.39 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.501 -0.75 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.75 -26.53 65.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.872 . . . . 0.0 109.783 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.02 -56.74 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.776 -1.203 . . . . 0.0 108.297 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.509 ' CE ' ' NZ ' ' A' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.39 39.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.489 -0.757 . . . . 0.0 110.127 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -85.6 -35.32 21.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.986 -1.072 . . . . 0.0 109.224 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.8 m -68.91 -43.88 74.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.678 -1.264 . . . . 0.0 108.123 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.14 -56.91 16.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.613 -1.305 . . . . 0.0 108.028 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.8 -21.16 1.03 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.042 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -102.97 40.63 1.35 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.099 0.952 . . . . 0.0 109.388 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.61 ' C ' ' H ' ' A' ' 65' ' ' ASP . 11.8 p-10 -44.54 -35.33 2.48 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-O 121.659 0.742 . . . . 0.0 109.724 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.12 -6.25 0.01 OUTLIER Glycine 0 N--CA 1.495 2.592 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.813 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 63' ' ' ASP . 31.4 t70 -106.24 -31.32 8.7 Favored 'General case' 0 N--CA 1.514 2.746 0 CA-C-N 119.188 1.494 . . . . 0.0 112.196 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.2 -26.59 23.75 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 119.816 -1.803 . . . . 0.0 109.308 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.87 130.38 14.85 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.148 -1.207 . . . . 0.0 109.559 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 27' ' ' LEU . 2.7 m -104.09 127.01 51.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.068 -1.02 . . . . 0.0 109.493 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.49 -172.06 3.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 110.282 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -74.94 -25.81 59.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.532 -0.73 . . . . 0.0 109.19 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.42 -36.99 85.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.836 -1.165 . . . . 0.0 108.737 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -70.62 -22.77 62.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.134 -0.979 . . . . 0.0 109.655 179.515 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 71.3 t80 -74.73 -41.16 60.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.06 -1.025 . . . . 0.0 109.629 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.4 -52.82 28.73 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.294 -1.504 . . . . 0.0 109.039 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.43 73.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.289 -1.507 . . . . 0.0 111.765 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -66.03 -34.05 77.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.448 -1.407 . . . . 0.0 109.886 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 40.7 t -68.29 -33.35 60.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 82' ' ' THR . 26.1 p -69.32 -53.39 19.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -0.941 . . . . 0.0 109.523 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.42 -38.39 28.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.034 -1.041 . . . . 0.0 110.129 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.29 -58.3 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.904 -1.122 . . . . 0.0 109.419 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -57.64 -38.97 75.95 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' SER . 6.5 m -74.4 -20.03 60.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.619 -0.676 . . . . 0.0 109.559 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.055 -1.028 . . . . 0.0 108.76 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.61 -33.16 67.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.17 -0.956 . . . . 0.0 109.745 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.75 -43.84 95.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 109.421 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.44 -48.25 65.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 108.911 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.03 -42.55 49.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.72 0.771 . . . . 0.0 110.142 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.81 55.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.617 -0.677 . . . . 0.0 111.125 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.61 -48.18 80.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.43 -1.419 . . . . 0.0 107.934 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.84 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.289 -0.882 . . . . 0.0 109.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.0 -48.08 81.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.005 -1.059 . . . . 0.0 108.403 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.2 mt -46.03 -41.01 11.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 109.044 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.46 -40.93 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 9' ' ' ALA . 10.1 t70 -49.77 -52.44 31.84 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.663 0.744 . . . . 0.0 109.904 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.7 -34.17 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.658 -0.651 . . . . 0.0 111.323 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.68 -35.56 81.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.254 -1.529 . . . . 0.0 109.302 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.03 -31.26 39.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.903 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -53.86 -45.09 70.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.575 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -72.91 -48.01 40.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.154 -0.966 . . . . 0.0 109.029 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 75.7 m -98.19 60.47 1.42 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.365 -0.834 . . . . 0.0 109.827 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 -11.99 7.11 Favored Glycine 0 N--CA 1.502 3.075 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -63.64 -30.45 71.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -1.005 . . . . 0.0 109.096 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 39.2 mt-10 -147.93 -45.02 0.16 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.543 -1.348 . . . . 0.0 110.077 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.51 14.14 0.19 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 46.2 t0 -47.58 -59.02 3.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -1.167 . . . . 0.0 108.439 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.98 176.5 7.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -125.18 46.15 2.42 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -132.61 149.53 52.29 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.263 0.554 . . . . 0.0 110.014 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' B' ' 68' ' ' CYS . 19.2 tp -126.22 144.57 50.72 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -94.3 157.35 16.08 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.99 -1.069 . . . . 0.0 110.252 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' B' ' 30' ' ' SER . 5.3 pttp -60.54 -40.08 90.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.478 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 83.4 p -58.57 -40.81 84.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 110.998 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.478 ' N ' ' HG ' ' B' ' 30' ' ' SER . 42.5 mt-10 -77.79 -41.2 38.2 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.852 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.17 -44.33 75.11 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' NZ ' ' CE ' ' B' ' 57' ' ' MET . 59.2 tttp -51.11 -55.86 15.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.432 -1.418 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.39 -35.41 12.58 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.897 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.72 -43.85 79.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.631 -1.293 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.66 -35.77 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 120.706 -1.246 . . . . 0.0 109.79 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.09 -35.75 80.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.892 . . . . 0.0 111.764 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -102.55 -19.9 14.68 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.005 -1.06 . . . . 0.0 111.496 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -100.99 -26.43 13.73 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.804 -1.185 . . . . 0.0 110.319 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -116.08 26.17 10.15 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.276 -0.89 . . . . 0.0 109.256 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -67.36 -51.61 50.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.848 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.9 -40.48 66.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.012 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -72.06 -29.69 64.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.037 -1.04 . . . . 0.0 109.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.32 -25.85 6.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.61 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.067 -1.021 . . . . 0.0 109.981 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -86.1 60.39 6.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.207 -0.933 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.3 mm -120.39 110.83 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.458 -0.776 . . . . 0.0 109.334 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 12.2 mptt -93.38 -49.63 5.84 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.118 -0.989 . . . . 0.0 109.129 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 51' ' ' GLU . 20.5 mt-10 -82.56 67.94 8.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.555 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -45.94 -21.66 0.15 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.235 -0.916 . . . . 0.0 109.824 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 49' ' ' GLU . 33.9 mt-10 -75.42 -23.27 56.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.25 -49.46 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.684 -1.26 . . . . 0.0 107.809 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.74 -33.75 63.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.042 -1.036 . . . . 0.0 108.642 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.66 -45.86 88.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.552 -0.717 . . . . 0.0 109.742 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.79 -26.5 65.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 109.784 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.01 -56.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.767 -1.208 . . . . 0.0 108.25 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.519 ' CE ' ' NZ ' ' B' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.43 39.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.43 -0.794 . . . . 0.0 110.054 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -85.67 -35.23 21.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.016 -1.053 . . . . 0.0 109.223 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -68.98 -43.82 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.671 -1.268 . . . . 0.0 108.144 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.21 -56.82 17.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.669 -1.269 . . . . 0.0 107.979 177.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.86 -21.1 1.04 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 109.055 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -102.87 40.61 1.35 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.138 0.971 . . . . 0.0 109.783 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 65' ' ' ASP . 11.7 p-10 -44.46 -35.37 2.43 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 121.595 0.712 . . . . 0.0 109.257 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.05 -6.5 0.01 OUTLIER Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.0 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' B' ' 63' ' ' ASP . 31.4 t70 -106.13 -31.26 8.78 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.097 1.448 . . . . 0.0 112.264 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.23 -26.63 23.57 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 119.736 -1.852 . . . . 0.0 109.312 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.81 130.44 14.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.173 -1.192 . . . . 0.0 109.489 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' B' ' 27' ' ' LEU . 2.7 m -104.12 127.07 51.68 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.54 -172.1 3.95 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.138 -0.976 . . . . 0.0 110.273 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.87 -25.83 59.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.467 -0.771 . . . . 0.0 109.222 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.44 -36.96 85.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.81 -1.181 . . . . 0.0 108.699 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 0.5 OUTLIER -70.6 -22.84 62.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.644 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.408 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 71.4 t80 -74.62 -41.34 60.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.057 -1.027 . . . . 0.0 109.615 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.29 -52.86 28.94 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.289 -1.507 . . . . 0.0 109.029 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.209 -1.557 . . . . 0.0 111.755 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -65.99 -34.06 77.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.434 -1.417 . . . . 0.0 109.907 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 40.8 t -68.25 -33.32 59.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 108.775 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 82' ' ' THR . 26.2 p -69.38 -53.31 20.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 109.59 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.41 -38.39 28.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.992 -1.067 . . . . 0.0 110.179 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.33 -58.31 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.942 -1.099 . . . . 0.0 109.365 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -57.68 -38.91 75.96 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.488 ' N ' ' O ' ' B' ' 78' ' ' SER . 6.5 m -74.38 -20.09 60.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.613 -0.679 . . . . 0.0 109.557 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 120.969 -1.082 . . . . 0.0 108.83 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.83 -37.69 74.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 109.774 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -39.97 92.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.086 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' B' ' 42' ' ' HIS . 73.1 tt0 -56.44 -48.39 77.12 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.284 -0.885 . . . . 0.0 109.218 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -47.97 -42.03 26.63 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.83 0.824 . . . . 0.0 109.364 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.12 -32.07 44.4 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.876 -0.515 . . . . 0.0 111.074 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.38 -40.57 86.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.449 -1.407 . . . . 0.0 108.484 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.98 -35.14 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.92 75.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.845 . . . . 0.0 109.674 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.52 -55.85 16.71 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.992 0.901 . . . . 0.0 109.798 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.17 -37.58 50.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.96 -36.4 75.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.809 -1.182 . . . . 0.0 110.477 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.8 t -71.9 -35.64 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.502 -1.374 . . . . 0.0 109.313 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.5 -34.03 76.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 108.19 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.11 -30.12 60.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.26 -43.8 74.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.428 -0.795 . . . . 0.0 110.078 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.93 -46.84 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.46 60.73 1.36 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.297 -0.877 . . . . 0.0 109.974 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.56 -13.54 6.74 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.9 -29.93 71.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.525 -0.985 . . . . 0.0 108.953 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 80.7 mt-10 -148.54 -45.25 0.15 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.667 -1.271 . . . . 0.0 109.967 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.28 12.62 0.19 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 22.1 m-20 -49.13 -53.91 18.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -1.226 . . . . 0.0 108.226 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.47 178.36 5.97 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 26.5 p80 -128.28 47.16 2.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.35 152.2 51.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 109.865 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' CYS . 11.2 tp -126.63 143.42 51.23 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 155.9 16.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.051 -1.031 . . . . 0.0 110.226 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.74 -37.45 81.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.979 179.125 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.401 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 41.0 t -60.2 -41.84 93.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 110.758 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -79.4 -33.9 42.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.964 -1.085 . . . . 0.0 108.731 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.94 -45.94 90.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.34 -56.76 12.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.69 -1.256 . . . . 0.0 108.76 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.02 -35.32 10.83 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.546 -0.862 . . . . 0.0 108.758 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -67.5 -41.98 83.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.117 -0.99 . . . . 0.0 108.505 179.055 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.7 -35.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.687 -1.258 . . . . 0.0 109.362 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' C ' HD21 ' A' ' 38' ' ' ASN . 9.2 m120 -65.84 -33.52 76.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 0.0 110.89 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.531 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.0 OUTLIER -112.33 -8.39 13.93 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.346 -0.846 . . . . 0.0 110.627 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.8 tp10 -92.38 -31.68 15.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.86 -1.15 . . . . 0.0 110.468 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -126.96 37.33 4.3 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.405 -0.81 . . . . 0.0 109.571 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.66 -28.23 63.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.365 -0.834 . . . . 0.0 110.217 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.49 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.32 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.055 -1.028 . . . . 0.0 109.936 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.81 -20.81 65.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.199 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.93 -45.73 31.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.0 109.522 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.72 -37.21 83.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.95 . . . . 0.0 110.067 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -88.94 62.37 6.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 110.534 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.57 116.49 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.395 -0.815 . . . . 0.0 109.036 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.29 -57.13 2.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.149 -0.97 . . . . 0.0 109.708 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.77 107.63 13.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.29 -21.28 36.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.051 -1.031 . . . . 0.0 110.301 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.99 -23.79 61.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.019 -1.051 . . . . 0.0 110.736 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.43 -48.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.494 -1.379 . . . . 0.0 108.003 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.57 -33.19 60.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 120.931 -1.105 . . . . 0.0 108.774 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.41 -46.72 87.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 59' ' ' THR . 32.7 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.922 . . . . 0.0 109.839 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.45 -56.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.601 -1.312 . . . . 0.0 107.657 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.02 -27.47 13.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.294 -0.879 . . . . 0.0 109.359 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.89 -34.52 19.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 108.737 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 6.6 m -67.37 -46.26 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.6 -56.72 16.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.638 -1.289 . . . . 0.0 108.371 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.33 -23.63 9.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.577 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.95 40.77 1.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.294 1.045 . . . . 0.0 109.057 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.63 ' C ' ' H ' ' A' ' 65' ' ' ASP . 17.8 p-10 -44.68 -33.84 1.99 Allowed 'General case' 0 C--N 1.274 -2.698 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.64 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.99 -8.6 0.01 OUTLIER Glycine 0 N--CA 1.497 2.735 0 C-N-CA 121.378 -0.439 . . . . 0.0 112.105 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.63 ' H ' ' C ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.37 8.27 Favored 'General case' 0 N--CA 1.512 2.67 0 CA-C-N 119.164 1.482 . . . . 0.0 112.174 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.58 -25.62 25.18 Favored Glycine 0 N--CA 1.502 3.035 0 O-C-N 119.828 -1.795 . . . . 0.0 109.132 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.0 130.71 15.99 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.242 -1.152 . . . . 0.0 109.44 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' LEU . 6.8 m -101.8 125.2 48.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.038 -1.039 . . . . 0.0 109.138 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.407 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 40.1 t0 -82.17 -175.92 5.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.244 -0.91 . . . . 0.0 109.736 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.407 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 24.7 t80 -75.32 -30.36 60.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 108.863 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -61.99 -37.13 83.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.072 -1.017 . . . . 0.0 108.852 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 33.3 mt-10 -72.68 -24.68 61.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.201 -0.937 . . . . 0.0 109.875 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.7 t80 -74.14 -42.08 60.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.445 -0.784 . . . . 0.0 109.289 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.18 -48.23 79.27 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.289 -1.507 . . . . 0.0 107.769 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.26 -42.79 63.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.319 -1.488 . . . . 0.0 110.719 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 72' ' ' GLU . 43.4 m-85 -69.82 -32.45 70.89 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.389 -1.445 . . . . 0.0 109.52 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.55 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 55.2 t -67.81 -35.4 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.473 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' MET . 14.2 p -70.98 -54.28 11.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.125 -0.984 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.413 ' O ' ' OG1' ' A' ' 82' ' ' THR . 23.8 mtm -53.35 -51.53 62.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.098 -1.002 . . . . 0.0 110.504 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.87 -43.7 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.62 80.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.936 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 79' ' ' MET . 8.6 p -57.06 -51.03 70.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.979 . . . . 0.0 109.583 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 109.503 -179.646 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.499 1.975 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.87 -37.72 74.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.11 -39.92 91.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.26 -0.9 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 42' ' ' HIS . 73.3 tt0 -56.54 -48.31 77.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.364 -0.835 . . . . 0.0 109.256 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -47.98 -42.02 26.72 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.843 0.83 . . . . 0.0 109.371 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.17 -32.04 44.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.855 -0.528 . . . . 0.0 111.077 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.39 -40.56 86.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.407 -1.433 . . . . 0.0 108.475 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.99 -35.12 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.9 . . . . 0.0 109.328 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.0 75.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.298 -0.876 . . . . 0.0 109.689 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.49 -55.92 16.21 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.014 0.911 . . . . 0.0 109.781 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -56.05 -37.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.596 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.98 -36.42 75.17 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.784 -1.197 . . . . 0.0 110.47 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.9 t -71.8 -35.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.467 -1.396 . . . . 0.0 109.308 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -62.48 -34.01 76.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.81 -1.181 . . . . 0.0 108.171 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.16 -30.16 60.65 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.488 -0.758 . . . . 0.0 109.489 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.31 -43.75 75.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.469 -0.769 . . . . 0.0 110.039 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.91 -46.87 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.063 -1.023 . . . . 0.0 109.38 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.42 60.66 1.37 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.28 -0.888 . . . . 0.0 110.0 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.53 -13.5 6.78 Favored Glycine 0 N--CA 1.502 3.066 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.93 -29.88 71.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.518 -0.99 . . . . 0.0 109.005 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' B' ' 23' ' ' ASP . 80.7 mt-10 -148.55 -45.24 0.15 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.637 -1.29 . . . . 0.0 109.968 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.24 12.64 0.18 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' B' ' 21' ' ' GLU . 22.0 m-20 -49.1 -53.9 18.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -1.233 . . . . 0.0 108.268 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.52 178.36 5.96 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 26.5 p80 -128.27 47.21 2.46 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.34 152.15 51.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.65 -0.656 . . . . 0.0 109.877 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 68' ' ' CYS . 11.2 tp -126.54 143.39 51.22 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -95.67 155.91 16.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.047 -1.033 . . . . 0.0 110.11 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.517 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -60.77 -37.4 81.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 110.004 179.126 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.421 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 40.8 t -60.26 -41.8 94.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -79.42 -33.9 42.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.143 . . . . 0.0 108.703 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.99 -45.98 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.16 -56.83 12.04 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.678 -1.264 . . . . 0.0 108.784 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.0 -35.35 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.747 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -67.43 -41.99 83.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 108.56 179.016 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.75 -35.51 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.763 -1.21 . . . . 0.0 109.273 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.461 ' C ' HD21 ' B' ' 38' ' ' ASN . 9.2 m120 -65.76 -33.58 76.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 110.954 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.528 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -112.35 -8.3 13.93 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.326 -0.859 . . . . 0.0 110.612 -178.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.8 tp10 -92.41 -31.65 15.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.854 -1.154 . . . . 0.0 110.464 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 mt -126.93 37.35 4.3 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.432 -0.793 . . . . 0.0 109.562 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.68 -28.19 63.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.4 15.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.066 -1.021 . . . . 0.0 109.892 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.79 -20.81 65.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.187 -0.946 . . . . 0.0 109.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -45.78 30.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.463 -0.773 . . . . 0.0 109.509 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.68 -37.29 83.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.045 -1.034 . . . . 0.0 110.03 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -88.87 62.32 6.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.235 -0.916 . . . . 0.0 110.559 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.53 116.45 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.393 -0.817 . . . . 0.0 109.058 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.26 -57.11 2.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.17 -0.956 . . . . 0.0 109.74 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.83 107.67 13.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.31 -21.27 36.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.023 -1.048 . . . . 0.0 110.311 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.99 -23.8 61.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.058 -1.026 . . . . 0.0 110.784 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 77.4 t -75.4 -48.77 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.48 -1.388 . . . . 0.0 107.989 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.63 -33.19 60.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.845 -1.16 . . . . 0.0 108.722 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.43 -46.76 87.83 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.345 -0.847 . . . . 0.0 109.606 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' B' ' 59' ' ' THR . 32.6 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.825 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.42 -56.28 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.612 -1.305 . . . . 0.0 107.689 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.08 -27.5 14.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.271 -0.893 . . . . 0.0 109.354 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.82 -34.58 19.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.002 -1.061 . . . . 0.0 108.776 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 6.6 m -67.42 -46.21 73.84 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.6 -56.67 17.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.666 -1.271 . . . . 0.0 108.423 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.31 -23.66 9.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.261 -0.9 . . . . 0.0 109.563 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.99 40.93 1.19 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.364 1.078 . . . . 0.0 109.408 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.605 ' C ' ' H ' ' B' ' 65' ' ' ASP . 17.8 p-10 -44.58 -33.98 1.97 Allowed 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.265 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.9 -8.64 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.206 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.605 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.41 8.25 Favored 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 119.084 1.442 . . . . 0.0 112.123 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.73 -25.65 24.93 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 119.896 -1.752 . . . . 0.0 109.101 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -147.97 130.68 15.99 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.161 -1.2 . . . . 0.0 109.423 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' B' ' 27' ' ' LEU . 6.8 m -101.75 125.17 48.36 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.01 -1.056 . . . . 0.0 109.185 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 40.0 t0 -82.12 -175.93 5.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 109.803 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.413 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 24.9 t80 -75.37 -30.25 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 108.876 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.13 -37.03 83.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.098 -1.001 . . . . 0.0 108.846 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.518 ' O ' ' CD2' ' B' ' 76' ' ' PHE . 33.3 mt-10 -72.65 -24.77 61.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.6 t80 -74.13 -42.0 60.68 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.458 -0.776 . . . . 0.0 109.345 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.21 -48.26 79.07 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.301 -1.499 . . . . 0.0 107.75 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.25 -42.75 63.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.329 -1.482 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' B' ' 72' ' ' GLU . 43.5 m-85 -69.79 -32.58 71.14 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.408 -1.432 . . . . 0.0 109.478 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 55.3 t -67.78 -35.4 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.474 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' B' ' 79' ' ' MET . 14.3 p -70.96 -54.28 11.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.122 -0.986 . . . . 0.0 110.075 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.423 ' O ' ' OG1' ' B' ' 82' ' ' THR . 23.9 mtm -53.35 -51.59 61.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.13 -0.981 . . . . 0.0 110.473 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.81 -43.66 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.0 110.09 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 6.8 p -68.54 -40.66 80.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.065 -1.022 . . . . 0.0 109.914 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 79' ' ' MET . 8.7 p -57.04 -51.01 70.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 109.52 -179.679 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.413 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 6.5 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.83 -32.36 63.52 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.247 -0.908 . . . . 0.0 109.211 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.24 -53.12 61.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.199 -0.938 . . . . 0.0 109.537 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' OE1' ' OG ' ' A' ' 1' ' ' SER . 2.5 mp0 -51.34 -47.19 62.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 109.427 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -51.04 -44.56 61.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.819 0.819 . . . . 0.0 109.464 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.72 -28.62 58.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.79 -0.569 . . . . 0.0 111.051 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.2 tpt -66.18 -50.86 62.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.385 -1.447 . . . . 0.0 108.612 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.51 -35.92 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.33 -0.856 . . . . 0.0 109.194 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.97 -47.63 82.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -45.9 -43.08 13.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.211 -0.931 . . . . 0.0 109.441 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.8 mp -65.05 -39.9 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.6 t70 -51.12 -53.44 34.29 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.664 0.745 . . . . 0.0 109.957 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.6 t -76.88 -44.74 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.564 -0.71 . . . . 0.0 111.289 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.83 -35.3 70.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.29 -1.507 . . . . 0.0 108.871 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -78.53 -30.5 47.05 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 109.732 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.73 -43.78 69.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.329 -0.857 . . . . 0.0 109.528 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.37 49.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.11 -0.994 . . . . 0.0 109.058 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' O ' ' OG ' ' A' ' 18' ' ' SER . 6.4 t -96.81 61.06 1.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.277 -0.889 . . . . 0.0 110.273 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.77 -15.03 7.01 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.99 -31.09 70.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.534 -0.98 . . . . 0.0 109.311 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' ASP . 37.1 mt-10 -148.8 -44.41 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.624 -1.298 . . . . 0.0 110.34 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.41 12.34 0.18 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.6 t0 -48.96 -55.53 11.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -1.186 . . . . 0.0 108.342 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -178.16 5.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -130.86 47.3 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -133.66 150.11 51.55 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.0 tp -123.65 141.34 52.11 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.7 148.89 23.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.848 -1.158 . . . . 0.0 109.555 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.3 pttm -56.94 -41.44 78.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 5.0 m -57.87 -40.2 79.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -0.806 . . . . 0.0 111.069 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.19 -33.9 43.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.005 -1.06 . . . . 0.0 109.068 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.12 -44.16 97.26 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.47 -57.21 10.62 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.599 -1.313 . . . . 0.0 108.785 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.27 -35.34 11.91 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.376 -0.929 . . . . 0.0 108.948 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -66.42 -49.56 66.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.028 -1.045 . . . . 0.0 108.737 179.083 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.6 mt -52.45 -38.73 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.698 -1.252 . . . . 0.0 109.694 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.28 -27.89 69.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.164 -0.96 . . . . 0.0 110.655 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.14 2.91 11.45 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.458 -0.776 . . . . 0.0 110.512 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 35' ' ' LEU . 30.4 tt0 -104.95 -31.69 9.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.127 -0.983 . . . . 0.0 110.659 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -125.41 38.85 4.09 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.445 -0.785 . . . . 0.0 109.662 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 p -68.45 -29.17 67.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -75.08 -51.87 12.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.943 -1.098 . . . . 0.0 109.94 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.21 -20.06 65.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.057 -1.027 . . . . 0.0 109.22 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.32 -50.67 38.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.356 -0.84 . . . . 0.0 109.717 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.97 -29.62 60.52 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.304 -0.872 . . . . 0.0 109.816 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -92.14 61.04 3.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.283 -0.885 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.444 HD11 HG22 ' A' ' 47' ' ' ILE . 87.5 mt -124.64 104.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.343 -0.848 . . . . 0.0 108.79 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.4 -46.58 7.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.101 -0.999 . . . . 0.0 109.423 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -83.75 66.54 9.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.0 109.382 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.02 -23.7 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.309 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 10.9 mp0 -74.23 -25.21 59.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.218 -0.926 . . . . 0.0 110.312 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.0 t -73.8 -49.72 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.11 -31.86 54.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 108.65 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -61.95 -49.49 75.93 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.365 -0.834 . . . . 0.0 109.813 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 54.8 mtpt -65.39 -26.78 68.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -0.93 . . . . 0.0 109.835 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.16 -55.15 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 120.682 -1.261 . . . . 0.0 108.001 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.72 -26.08 43.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.401 -0.812 . . . . 0.0 110.361 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.11 -39.95 14.16 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.006 -1.059 . . . . 0.0 109.786 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -68.93 -36.28 77.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.704 -1.247 . . . . 0.0 107.841 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.8 tp -69.11 -58.53 3.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.863 -1.148 . . . . 0.0 108.024 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 52.8 t0 -50.15 -20.12 0.93 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.203 -0.936 . . . . 0.0 109.197 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 69.7 mm-40 -100.02 41.74 1.15 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.323 1.059 . . . . 0.0 108.964 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.622 ' C ' ' H ' ' A' ' 65' ' ' ASP . 14.9 p-10 -43.51 -34.62 1.41 Allowed 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.624 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.31 -7.08 0.01 OUTLIER Glycine 0 N--CA 1.496 2.676 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.622 ' H ' ' C ' ' A' ' 63' ' ' ASP . 35.0 t70 -106.12 -31.4 8.72 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 119.133 1.466 . . . . 0.0 111.952 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 -25.09 25.42 Favored Glycine 0 N--CA 1.504 3.169 0 CA-C-N 121.02 1.737 . . . . 0.0 109.152 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -150.93 131.89 14.24 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.237 -1.155 . . . . 0.0 109.684 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.81 124.09 45.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.121 -0.987 . . . . 0.0 108.548 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -83.1 -172.88 4.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.185 -0.947 . . . . 0.0 109.743 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -74.87 -34.1 62.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 108.822 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.38 -38.62 80.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.991 -1.068 . . . . 0.0 108.731 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -72.6 -23.72 60.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.413 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 40.4 t80 -74.36 -42.2 59.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.433 -0.792 . . . . 0.0 109.236 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.06 -52.0 58.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.189 -1.569 . . . . 0.0 108.409 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.84 -50.37 66.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.298 -1.502 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.51 -36.82 85.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.753 -1.217 . . . . 0.0 109.529 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.413 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 40.5 t -65.01 -32.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.231 -0.918 . . . . 0.0 109.187 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.1 -51.79 28.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.211 -0.931 . . . . 0.0 110.082 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.1 tpp -50.57 -37.5 40.15 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.147 -0.97 . . . . 0.0 110.768 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.61 -48.79 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.809 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.8 m -61.96 -48.37 80.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.59 -22.64 56.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.349 -0.845 . . . . 0.0 109.663 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.973 . . . . 0.0 109.379 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.402 ' OG ' ' OE1' ' B' ' 4' ' ' GLU . 6.5 p . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.82 -32.35 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -0.936 . . . . 0.0 109.165 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.23 -53.19 61.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.402 ' OE1' ' OG ' ' B' ' 1' ' ' SER . 2.5 mp0 -51.25 -47.26 62.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.08 . . . . 0.0 109.428 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -51.04 -44.55 61.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.791 0.805 . . . . 0.0 109.462 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.78 -28.53 58.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.822 -0.549 . . . . 0.0 111.098 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -66.21 -50.88 62.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.443 -1.41 . . . . 0.0 108.628 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.42 -35.97 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.365 -0.834 . . . . 0.0 109.269 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -57.99 -47.58 82.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.125 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' B' ' 9' ' ' ALA . 83.1 mt -45.97 -42.99 13.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.485 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.474 ' N ' ' CD1' ' B' ' 11' ' ' ILE . 1.8 mp -65.1 -39.9 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.06 -53.47 33.46 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.639 0.733 . . . . 0.0 110.011 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.87 -44.78 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.637 -0.664 . . . . 0.0 111.214 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.82 -35.35 70.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.244 -1.535 . . . . 0.0 108.861 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -78.54 -30.41 46.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.373 -0.83 . . . . 0.0 109.779 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.8 -43.73 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.409 -0.807 . . . . 0.0 109.53 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.4 49.63 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.073 -1.017 . . . . 0.0 109.06 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 18' ' ' SER . 6.3 t -96.76 60.94 1.83 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.29 -0.881 . . . . 0.0 110.233 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.68 -15.11 7.03 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 107.734 -2.146 . . . . 0.0 107.734 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -60.86 -31.14 70.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.517 -0.99 . . . . 0.0 109.306 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' B' ' 23' ' ' ASP . 37.1 mt-10 -148.84 -44.35 0.15 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.639 -1.288 . . . . 0.0 110.413 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.4 12.31 0.18 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' B' ' 21' ' ' GLU . 52.6 t0 -49.0 -55.47 11.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.167 -1.196 . . . . 0.0 108.304 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -178.13 5.11 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -130.91 47.2 2.56 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -133.58 150.16 51.63 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 tp -123.62 141.39 52.06 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.77 148.9 22.96 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.843 -1.161 . . . . 0.0 109.551 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.3 pttm -56.95 -41.43 78.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.118 -0.989 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 5.0 m -57.9 -40.17 79.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 111.024 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.22 -33.86 43.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.012 -1.055 . . . . 0.0 109.076 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -62.17 -44.17 97.21 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.48 -57.18 10.71 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.59 -1.318 . . . . 0.0 108.774 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.29 -35.35 12.03 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.958 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -66.36 -49.63 66.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.058 -1.026 . . . . 0.0 108.761 179.028 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -52.39 -38.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.671 -1.268 . . . . 0.0 109.699 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.36 -27.86 69.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.181 -0.949 . . . . 0.0 110.675 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.1 2.81 11.46 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 35' ' ' LEU . 30.4 tt0 -104.89 -31.7 9.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.145 -0.972 . . . . 0.0 110.716 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.42 38.94 4.07 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.6 p -68.51 -29.2 67.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.079 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -75.03 -51.88 12.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.91 -1.118 . . . . 0.0 109.958 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -63.17 -20.07 65.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.084 -1.01 . . . . 0.0 109.234 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.34 -50.61 39.03 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.371 -0.831 . . . . 0.0 109.719 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.01 -29.62 60.64 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.326 -0.859 . . . . 0.0 109.81 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -92.13 61.05 3.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.241 -0.912 . . . . 0.0 110.892 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.417 HG22 HD11 ' B' ' 47' ' ' ILE . 87.8 mt -124.65 104.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.315 -0.865 . . . . 0.0 108.857 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.37 -46.55 7.62 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.103 -0.998 . . . . 0.0 109.422 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.7 66.47 9.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.1 -23.65 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.945 . . . . 0.0 110.25 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 10.9 mp0 -74.24 -25.23 59.52 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.252 -0.905 . . . . 0.0 110.288 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -73.8 -49.74 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.07 -31.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 108.656 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.03 -49.39 76.21 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.488 -0.757 . . . . 0.0 109.815 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' B' ' 59' ' ' THR . 54.8 mtpt -65.38 -26.81 68.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 109.845 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.17 -55.13 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.651 -1.281 . . . . 0.0 107.968 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.76 -26.08 44.04 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.804 . . . . 0.0 110.328 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.14 -39.91 14.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.015 -1.053 . . . . 0.0 109.821 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 0.8 OUTLIER -68.88 -36.28 77.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.768 -1.207 . . . . 0.0 107.898 179.442 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -69.1 -58.49 4.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.904 -1.123 . . . . 0.0 108.039 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 52.9 t0 -50.12 -20.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.974 . . . . 0.0 109.163 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -100.07 41.77 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 122.356 1.074 . . . . 0.0 109.226 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 65' ' ' ASP . 14.9 p-10 -43.41 -34.72 1.35 Allowed 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.207 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -7.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.091 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' B' ' 63' ' ' ASP . 34.9 t70 -106.17 -31.19 8.79 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.79 -1.417 . . . . 0.0 112.03 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.7 -25.22 24.95 Favored Glycine 0 N--CA 1.5 2.956 0 O-C-N 119.902 -1.749 . . . . 0.0 109.135 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -150.86 131.96 14.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -1.172 . . . . 0.0 109.631 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.86 124.05 45.96 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.103 -0.998 . . . . 0.0 108.565 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.05 -172.79 4.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.221 -0.924 . . . . 0.0 109.794 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -75.01 -34.03 61.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 108.774 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.42 -38.63 81.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.974 -1.079 . . . . 0.0 108.675 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.65 -23.64 60.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 109.618 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.412 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 40.5 t80 -74.35 -42.16 59.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.315 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.08 -51.96 58.39 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.211 -1.555 . . . . 0.0 108.448 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.37 66.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.319 -1.488 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.58 -36.74 84.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.7 -1.25 . . . . 0.0 109.489 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.412 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 40.6 t -65.02 -32.91 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.199 -0.938 . . . . 0.0 109.188 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.11 -51.79 28.77 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.0 tpp -50.5 -37.61 39.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.21 -0.931 . . . . 0.0 110.755 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.56 -48.72 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.876 -1.14 . . . . 0.0 109.858 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -61.95 -48.4 80.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.204 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.58 -22.58 56.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.395 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.47 -33.34 59.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.181 -0.949 . . . . 0.0 109.112 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.22 -50.6 71.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.767 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.22 -48.7 70.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 109.549 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.47 -41.03 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.748 0.785 . . . . 0.0 109.758 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.14 -29.42 48.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.798 -0.564 . . . . 0.0 111.237 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -48.44 79.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.398 -1.439 . . . . 0.0 107.987 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.03 -36.7 77.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 109.117 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.28 79.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.141 -0.974 . . . . 0.0 108.572 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.51 -41.13 13.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.987 . . . . 0.0 109.328 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.93 -41.79 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.4 m-20 -52.76 -51.09 62.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.6 -0.688 . . . . 0.0 110.368 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.82 -44.98 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.434 -0.791 . . . . 0.0 111.016 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -54.99 -34.24 63.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.384 -1.448 . . . . 0.0 108.731 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 15' ' ' HIS . 13.5 t-160 -78.87 -31.17 45.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.558 -0.714 . . . . 0.0 109.977 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -55.55 -45.37 77.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.28 -0.887 . . . . 0.0 110.206 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -71.85 -44.47 63.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.949 -1.095 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -99.68 58.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 110.084 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.42 -9.8 12.5 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -65.73 -37.66 87.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 35.0 mm-40 -143.18 -44.4 0.29 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.84 -1.163 . . . . 0.0 109.628 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.78 12.98 0.15 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 28.8 t70 -48.94 -56.31 9.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.248 . . . . 0.0 108.515 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -90.45 157.65 17.47 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -107.44 45.86 0.97 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.96 51.88 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -125.72 142.38 51.54 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -92.71 156.67 16.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.011 -1.055 . . . . 0.0 109.654 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 30' ' ' SER . 3.3 pttp -61.64 -40.07 93.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 0.0 110.589 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.402 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 3.3 t -59.27 -41.0 87.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.169 -0.957 . . . . 0.0 111.147 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -77.39 -33.5 55.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.034 . . . . 0.0 109.037 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.11 -43.51 98.25 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.26 -56.82 14.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.497 -1.377 . . . . 0.0 109.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -49.06 -36.82 19.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.168 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 8.9 tp -67.91 -45.25 74.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 109.307 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.14 -34.01 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.88 -1.138 . . . . 0.0 109.618 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.67 -30.21 67.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.944 . . . . 0.0 111.874 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -107.56 -0.27 22.18 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.001 -1.062 . . . . 0.0 111.404 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 3.7 mp0 -118.12 -21.99 7.98 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.1 -1.0 . . . . 0.0 110.163 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -120.26 24.49 10.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.339 -0.851 . . . . 0.0 109.412 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.78 -22.83 61.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 109.782 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -70.41 -49.71 46.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 109.725 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.6 -19.05 60.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 109.468 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -49.58 -32.1 11.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.209 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -82.92 -30.67 28.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 110.376 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.16 70.84 7.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.123 -0.986 . . . . 0.0 110.987 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.0 mt -126.82 110.24 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.15 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.82 106.94 18.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.0 pt20 -81.1 -19.07 44.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 111.201 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.72 -23.49 62.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.897 -1.127 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.8 -45.67 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.406 -1.434 . . . . 0.0 108.566 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.26 -34.89 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.69 -1.256 . . . . 0.0 108.964 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 50' ' ' GLN . 61.0 m-20 -57.84 -40.11 79.3 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.279 -0.888 . . . . 0.0 109.951 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 59' ' ' THR . 29.4 ttmt -70.84 -27.58 63.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.954 -1.091 . . . . 0.0 109.981 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.56 -55.58 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.616 -1.302 . . . . 0.0 108.0 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.44 -28.91 21.91 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.643 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -88.3 -37.56 15.89 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.0 -1.062 . . . . 0.0 109.236 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 4.4 m -69.17 -39.24 78.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.5 tp -69.73 -57.5 5.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.866 -1.146 . . . . 0.0 108.177 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.88 -18.01 0.24 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.081 -1.012 . . . . 0.0 109.352 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 60' ' ' LEU . 92.4 mt-10 -102.37 42.39 1.15 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.209 1.004 . . . . 0.0 109.364 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' A' ' 65' ' ' ASP . 31.7 t0 -44.09 -38.95 3.91 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.94 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.42 -5.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.599 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.759 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -108.84 -8.76 15.25 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-N 119.181 1.49 . . . . 0.0 112.427 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.35 2.33 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 119.595 -1.941 . . . . 0.0 110.562 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -146.52 130.82 17.54 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.033 -1.275 . . . . 0.0 109.839 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.62 125.45 49.36 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.186 -0.946 . . . . 0.0 108.834 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -84.38 -173.5 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.192 -0.942 . . . . 0.0 110.315 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.72 -28.21 60.7 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.05 -39.13 89.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.898 -1.126 . . . . 0.0 108.671 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.67 -23.14 62.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.0 109.387 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.531 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 32.2 t80 -76.02 -41.7 50.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.5 -0.75 . . . . 0.0 109.346 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.04 -55.8 14.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.083 -1.636 . . . . 0.0 108.496 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.9 -42.83 59.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.344 -1.473 . . . . 0.0 110.728 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.85 -37.89 70.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.742 -1.224 . . . . 0.0 109.994 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.531 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 25.2 t -60.18 -33.72 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.055 -1.028 . . . . 0.0 108.776 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.8 t -70.69 -51.17 29.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 59.6 mtp -49.39 -39.4 32.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.102 -0.998 . . . . 0.0 110.522 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.8 t -73.93 -45.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -71.36 -45.68 62.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 109.385 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' SER . 59.9 p -71.26 -21.29 62.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.762 . . . . 0.0 110.368 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.002 -1.061 . . . . 0.0 108.746 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.49 -33.31 59.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.954 . . . . 0.0 109.087 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.19 -50.6 71.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.442 -0.786 . . . . 0.0 109.772 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -54.31 -48.6 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 109.503 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.52 -41.05 28.96 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.752 0.787 . . . . 0.0 109.778 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.06 -29.49 49.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.764 -0.585 . . . . 0.0 111.287 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -48.44 79.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.376 -1.453 . . . . 0.0 108.026 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.05 -36.64 77.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.181 -0.949 . . . . 0.0 109.161 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.186 -0.946 . . . . 0.0 108.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.59 -41.07 13.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 109.333 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.02 -41.74 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 12' ' ' ASP . 2.4 m-20 -52.69 -51.15 61.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.585 -0.697 . . . . 0.0 110.359 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.79 -44.98 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.36 -0.837 . . . . 0.0 110.992 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.99 -34.3 63.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.354 -1.466 . . . . 0.0 108.714 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 13.5 t-160 -78.79 -31.24 45.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -55.52 -45.31 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 110.224 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -71.86 -44.58 63.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.939 -1.101 . . . . 0.0 109.253 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -99.6 58.73 1.07 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.36 -0.838 . . . . 0.0 110.111 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.38 -9.84 12.5 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 107.574 -2.21 . . . . 0.0 107.574 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -65.71 -37.68 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.71 -0.877 . . . . 0.0 109.188 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 23' ' ' ASP . 35.1 mm-40 -143.11 -44.42 0.29 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.764 -1.21 . . . . 0.0 109.653 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.75 12.97 0.15 Allowed Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' B' ' 21' ' ' GLU . 28.8 t70 -48.95 -56.3 9.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.104 -1.233 . . . . 0.0 108.502 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.4 157.6 17.52 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.4 45.82 0.97 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.97 51.88 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -125.69 142.34 51.56 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -92.69 156.7 16.89 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.031 -1.043 . . . . 0.0 109.648 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.66 -40.08 93.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.166 -0.959 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.32 -40.94 87.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.257 -0.902 . . . . 0.0 111.136 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -77.3 -33.56 55.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.038 . . . . 0.0 109.069 -179.116 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.14 -43.48 98.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.23 -56.85 14.3 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.471 -1.393 . . . . 0.0 109.029 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -49.13 -36.8 20.05 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.14 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 8.9 tp -67.91 -45.21 75.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.073 -1.017 . . . . 0.0 109.298 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.16 -34.04 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.87 -1.144 . . . . 0.0 109.614 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.66 -30.21 67.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.166 -0.959 . . . . 0.0 111.874 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -107.52 -0.33 22.2 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.046 -1.034 . . . . 0.0 111.412 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 3.7 mp0 -118.13 -22.01 7.97 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.027 -1.046 . . . . 0.0 110.15 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.23 24.45 10.41 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.326 -0.859 . . . . 0.0 109.466 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -22.99 61.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.754 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -70.34 -49.59 47.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 109.773 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.7 -19.06 60.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.414 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 tp -49.55 -32.14 11.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 0.0 110.242 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -82.85 -30.75 28.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.12 -0.987 . . . . 0.0 110.362 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.14 70.8 7.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.055 -1.028 . . . . 0.0 111.035 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.9 mt -126.78 110.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.377 -0.827 . . . . 0.0 109.347 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.14 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.053 . . . . 0.0 108.227 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.79 106.87 17.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.405 ' O ' ' OD2' ' B' ' 54' ' ' ASP . 10.0 pt20 -81.1 -18.98 44.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.986 -1.071 . . . . 0.0 111.236 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.76 -23.43 62.42 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.849 -1.157 . . . . 0.0 111.336 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.84 -45.62 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.401 -1.437 . . . . 0.0 108.596 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.31 -34.82 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.674 -1.266 . . . . 0.0 108.983 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' B' ' 50' ' ' GLN . 60.9 m-20 -57.86 -40.13 79.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' B' ' 59' ' ' THR . 29.5 ttmt -70.82 -27.6 63.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.938 -1.101 . . . . 0.0 109.938 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.57 -55.63 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.355 . . . . 0.0 107.989 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.35 -28.96 21.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.359 -0.838 . . . . 0.0 109.67 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -88.33 -37.6 15.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.979 -1.076 . . . . 0.0 109.183 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 4.4 m -69.17 -39.23 78.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.4 tp -69.74 -57.49 5.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.947 -1.095 . . . . 0.0 108.178 177.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.83 -18.02 0.24 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.083 -1.01 . . . . 0.0 109.332 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' B' ' 60' ' ' LEU . 92.4 mt-10 -102.42 42.54 1.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.26 1.029 . . . . 0.0 109.629 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.627 ' C ' ' H ' ' B' ' 65' ' ' ASP . 31.1 t0 -44.01 -39.1 3.89 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.518 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.28 -5.83 0.01 OUTLIER Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.949 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.627 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.9 OUTLIER -108.84 -8.64 15.27 Favored 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.078 1.439 . . . . 0.0 112.47 -179.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.38 2.33 Favored Glycine 0 N--CA 1.492 2.368 0 O-C-N 119.561 -1.962 . . . . 0.0 110.499 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -146.52 130.79 17.51 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.989 -1.3 . . . . 0.0 109.789 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.69 125.48 49.44 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.19 -0.943 . . . . 0.0 108.838 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.38 -173.51 4.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -0.931 . . . . 0.0 110.258 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.76 -28.23 60.67 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -66.03 -39.13 89.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.849 -1.157 . . . . 0.0 108.694 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -23.16 62.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 32.0 t80 -76.07 -41.64 49.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.775 . . . . 0.0 109.327 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mmt -65.98 -55.89 14.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.072 -1.642 . . . . 0.0 108.539 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.75 59.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.313 -1.492 . . . . 0.0 110.752 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.86 -37.87 70.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.779 -1.2 . . . . 0.0 110.009 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 25.2 t -60.22 -33.67 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.086 -1.009 . . . . 0.0 108.812 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.432 ' O ' ' OG1' ' B' ' 82' ' ' THR . 5.8 t -70.71 -51.21 28.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 0.0 110.091 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 59.6 mtp -49.33 -39.4 31.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 110.55 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.9 t -73.97 -45.12 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.076 -1.015 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -71.37 -45.79 62.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.347 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 78' ' ' SER . 60.5 p -71.14 -21.31 62.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.49 -0.757 . . . . 0.0 110.396 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 120.951 -1.093 . . . . 0.0 108.765 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.45 -34.76 71.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -0.934 . . . . 0.0 109.617 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.68 -52.78 62.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 109.811 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.83 -47.59 64.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.098 . . . . 0.0 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.64 -41.96 32.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.664 0.745 . . . . 0.0 109.897 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.98 -29.46 43.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.702 -0.624 . . . . 0.0 111.097 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.14 -48.59 79.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.353 -1.467 . . . . 0.0 108.214 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.07 -36.26 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.527 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.26 76.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 108.702 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.74 -45.11 19.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.243 -0.911 . . . . 0.0 108.984 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.64 -42.53 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.36 -51.91 31.65 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.588 0.709 . . . . 0.0 109.994 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.61 -45.26 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.577 -0.702 . . . . 0.0 111.253 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.15 -32.61 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.306 -1.496 . . . . 0.0 108.799 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 16.1 t-80 -79.8 -31.34 40.71 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.566 -0.709 . . . . 0.0 109.92 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 19.6 tm0? -54.7 -45.0 73.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.842 . . . . 0.0 109.86 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 15.1 m-85 -71.93 -48.21 47.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.002 -1.061 . . . . 0.0 108.922 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.6 p -98.61 59.98 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.415 -0.803 . . . . 0.0 109.948 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.14 -13.27 7.13 Favored Glycine 0 N--CA 1.501 2.973 0 N-CA-C 107.692 -2.163 . . . . 0.0 107.692 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.32 -30.18 71.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.488 -1.007 . . . . 0.0 109.035 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' ASP . 43.4 mt-10 -147.48 -45.18 0.17 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.693 -1.255 . . . . 0.0 110.037 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.28 13.34 0.12 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.5 t70 -49.08 -57.22 6.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -1.231 . . . . 0.0 108.607 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -89.95 161.17 16.03 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.19 45.86 1.23 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -133.04 149.04 52.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.771 -0.581 . . . . 0.0 109.615 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 68' ' ' CYS . 10.7 tp -124.2 142.74 50.98 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -92.68 156.66 16.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 109.63 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' A' ' 30' ' ' SER . 4.7 pttm -61.08 -39.98 91.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 110.435 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 69.2 m -57.8 -40.41 79.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.292 -0.88 . . . . 0.0 111.019 -178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.94 -33.47 39.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.956 -1.09 . . . . 0.0 108.658 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.94 -45.0 96.44 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' HZ3' ' N ' ' A' ' 61' ' ' ASP . 56.9 mttp -52.11 -56.72 12.67 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.265 -1.522 . . . . 0.0 109.034 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.04 -35.67 11.56 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.785 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.54 -39.57 88.63 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.702 -1.249 . . . . 0.0 109.292 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -61.16 -35.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.716 -1.24 . . . . 0.0 109.611 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -66.28 -32.78 74.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 111.68 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -108.88 -18.26 13.73 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.101 -1.0 . . . . 0.0 111.334 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.36 -28.12 14.62 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.829 -1.169 . . . . 0.0 110.752 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -115.3 29.74 7.82 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.407 -0.808 . . . . 0.0 108.979 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.73 -25.15 61.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 110.205 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.69 -41.11 65.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.114 . . . . 0.0 109.568 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -72.76 -18.52 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.0 109.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.6 tp -46.35 -34.91 4.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.306 -0.871 . . . . 0.0 110.191 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.76 -29.95 29.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.146 -0.971 . . . . 0.0 110.455 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.18 60.37 3.71 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -0.945 . . . . 0.0 111.136 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.56 116.64 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 121.243 -0.911 . . . . 0.0 109.075 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.78 -46.92 5.49 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.224 -0.922 . . . . 0.0 109.322 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.14 64.86 7.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 0.0 109.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.28 -24.76 0.31 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.258 -0.901 . . . . 0.0 110.236 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.17 -22.78 57.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.107 -0.995 . . . . 0.0 110.431 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.53 -48.79 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.66 -1.275 . . . . 0.0 108.093 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.16 -32.09 56.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.85 -1.156 . . . . 0.0 108.723 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.03 -45.01 94.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -0.846 . . . . 0.0 110.065 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.27 -26.41 66.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 0.0 109.964 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.33 -56.42 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 108.6 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.41 24.78 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.319 -0.863 . . . . 0.0 109.919 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.97 -34.68 20.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.921 -1.112 . . . . 0.0 109.568 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.17 -41.88 76.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.675 -1.265 . . . . 0.0 108.201 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.03 -56.95 12.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.681 -1.262 . . . . 0.0 108.362 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' HZ3' ' A' ' 33' ' ' LYS . 38.2 t70 -50.49 -21.67 1.6 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.097 -1.002 . . . . 0.0 108.99 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -104.07 41.4 1.3 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.155 0.979 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.9 t0 -44.03 -38.7 3.69 Favored 'General case' 0 C--N 1.274 -2.691 0 CA-C-O 121.596 0.712 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.91 -8.88 0.01 OUTLIER Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.39 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.8 m-20 -107.57 -8.67 16.11 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 118.974 1.387 . . . . 0.0 112.272 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.82 -30.07 2.33 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 119.717 -1.864 . . . . 0.0 110.611 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -147.32 131.6 17.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.952 -1.323 . . . . 0.0 109.88 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' LEU . 23.3 m -104.01 126.51 51.18 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.207 -0.933 . . . . 0.0 108.866 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 21.4 t70 -82.49 -173.95 4.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.22 -0.925 . . . . 0.0 110.6 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.507 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.1 t80 -74.66 -27.75 60.56 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.2 -34.63 78.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 109.11 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.93 -23.2 60.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.03 -1.043 . . . . 0.0 110.086 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.46 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 72.6 t80 -73.34 -39.83 64.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.966 -1.084 . . . . 0.0 109.709 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.7 mmm -69.33 -53.79 17.83 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.127 -1.608 . . . . 0.0 109.519 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -52.59 62.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.229 -1.544 . . . . 0.0 111.168 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.75 -34.27 76.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.672 -1.267 . . . . 0.0 109.363 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 14.3 t -66.33 -33.07 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.892 . . . . 0.0 109.093 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.84 -50.56 41.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.063 -1.023 . . . . 0.0 110.033 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.2 mtp -50.68 -38.26 45.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.134 -0.979 . . . . 0.0 110.703 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.7 -47.61 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.979 -1.076 . . . . 0.0 109.876 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 p -67.81 -39.66 83.92 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.143 -0.973 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -71.09 -22.4 62.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.62 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.138 -0.976 . . . . 0.0 108.833 179.567 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.51 -34.68 71.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.62 -52.82 62.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.817 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.92 -47.49 64.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 0.0 109.43 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.62 -42.02 32.88 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.714 0.769 . . . . 0.0 109.915 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.89 -29.48 44.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.645 -0.659 . . . . 0.0 111.079 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.18 -48.53 79.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.378 -1.451 . . . . 0.0 108.233 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.25 76.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.012 -1.055 . . . . 0.0 108.709 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.71 -45.21 19.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 108.931 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.56 -42.59 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.29 -51.91 30.88 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.565 0.697 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.64 -45.26 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.643 -0.661 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.13 -32.62 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.334 -1.479 . . . . 0.0 108.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' B' ' 15' ' ' HIS . 16.1 t-80 -79.86 -31.33 40.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.579 -0.7 . . . . 0.0 109.933 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 19.6 tm0? -54.66 -44.98 73.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.273 -0.892 . . . . 0.0 109.86 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 15.1 m-85 -71.96 -48.21 46.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.04 . . . . 0.0 108.915 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 70.5 p -98.55 59.95 1.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.12 -13.42 7.07 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.28 -30.12 71.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.501 -1.0 . . . . 0.0 109.075 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 43.5 mt-10 -147.5 -45.26 0.17 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.593 -1.317 . . . . 0.0 110.032 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.25 13.37 0.12 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 12.5 t70 -49.13 -57.18 7.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.249 . . . . 0.0 108.576 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -89.97 161.17 16.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.14 45.83 1.23 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -133.02 149.08 52.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.803 -0.561 . . . . 0.0 109.62 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 68' ' ' CYS . 10.8 tp -124.23 142.72 51.01 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -92.68 156.57 16.98 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.008 -1.057 . . . . 0.0 109.673 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' B' ' 30' ' ' SER . 4.7 pttm -61.05 -39.96 91.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 110.436 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.416 ' H ' ' HG3' ' B' ' 29' ' ' LYS . 68.9 m -57.83 -40.41 79.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.889 . . . . 0.0 111.017 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -79.95 -33.39 39.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.704 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.98 -45.0 96.54 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HZ3' ' N ' ' B' ' 61' ' ' ASP . 56.9 mttp -52.17 -56.71 12.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.349 -1.47 . . . . 0.0 109.035 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.1 -35.66 11.78 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.746 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.5 -39.57 88.76 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.754 -1.216 . . . . 0.0 109.323 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.22 -35.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.769 -1.207 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.33 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 0.0 111.634 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -108.91 -18.29 13.72 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.053 -1.029 . . . . 0.0 111.328 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.33 -28.11 14.65 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.816 -1.178 . . . . 0.0 110.729 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -115.32 29.79 7.78 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.8 -25.07 61.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.237 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.72 -41.1 65.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.963 -1.086 . . . . 0.0 109.597 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -72.76 -18.51 61.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.947 . . . . 0.0 109.444 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -46.39 -34.8 4.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.294 -0.879 . . . . 0.0 110.27 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.81 -30.02 29.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.379 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.06 60.28 3.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.18 -0.95 . . . . 0.0 111.187 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.49 116.61 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 109.116 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.85 -46.84 5.5 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.135 -0.978 . . . . 0.0 109.306 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.13 64.8 6.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.88 . . . . 0.0 109.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.25 -24.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.355 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.27 -22.74 57.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -0.999 . . . . 0.0 110.383 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.52 -48.75 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.69 -1.256 . . . . 0.0 108.125 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 78.8 t -64.27 -32.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.879 -1.138 . . . . 0.0 108.759 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.21 -26.46 66.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.002 -1.061 . . . . 0.0 109.947 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -56.33 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.677 -1.265 . . . . 0.0 108.612 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -28.47 25.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 0.0 109.853 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.92 -34.8 20.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.08 -41.85 76.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.667 -1.271 . . . . 0.0 108.278 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.07 -56.93 12.72 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.689 -1.257 . . . . 0.0 108.341 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.442 ' N ' ' HZ3' ' B' ' 33' ' ' LYS . 38.2 t70 -50.44 -21.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.158 -0.964 . . . . 0.0 108.992 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -104.03 41.47 1.29 Allowed 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.172 0.987 . . . . 0.0 109.596 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.627 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.0 t0 -43.9 -38.93 3.65 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.856 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.83 -8.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.627 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.8 m-20 -107.55 -8.74 16.1 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.85 -1.383 . . . . 0.0 112.35 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 -30.04 2.34 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 119.607 -1.933 . . . . 0.0 110.612 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -147.34 131.69 17.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.903 -1.351 . . . . 0.0 109.815 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' B' ' 27' ' ' LEU . 23.1 m -104.03 126.43 51.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 21.3 t70 -82.43 -173.97 4.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.146 -0.971 . . . . 0.0 110.623 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.516 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.2 t80 -74.62 -27.81 60.61 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.17 -34.55 78.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.049 . . . . 0.0 109.175 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -73.0 -23.13 60.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.997 -1.064 . . . . 0.0 110.042 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.456 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 72.6 t80 -73.41 -39.81 64.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.937 -1.102 . . . . 0.0 109.657 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 72.8 mmm -69.41 -53.74 17.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.12 -1.613 . . . . 0.0 109.476 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.54 62.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.248 -1.533 . . . . 0.0 111.12 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -62.76 -34.28 76.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.696 -1.253 . . . . 0.0 109.356 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 14.4 t -66.34 -33.1 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.283 -0.886 . . . . 0.0 109.07 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.83 -50.58 41.43 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.151 -0.968 . . . . 0.0 110.031 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 73.3 mtp -50.66 -38.22 45.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.127 -0.983 . . . . 0.0 110.706 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.79 -47.57 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.891 -1.131 . . . . 0.0 109.851 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -67.82 -39.77 83.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.181 -0.95 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.9 p -71.05 -22.38 62.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 108.8 179.598 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.88 -37.45 84.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.042 -1.036 . . . . 0.0 109.437 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.62 -49.94 69.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.915 . . . . 0.0 108.994 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' CG ' ' B' ' 42' ' ' HIS . 73.6 tt0 -51.0 -46.64 61.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 108.963 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.06 -41.27 47.55 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.709 0.766 . . . . 0.0 109.912 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.8 -29.41 55.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.787 -0.571 . . . . 0.0 111.182 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.34 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.448 -1.408 . . . . 0.0 107.894 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -67.76 -36.81 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.26 -0.9 . . . . 0.0 109.214 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.51 -48.38 81.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.172 -0.955 . . . . 0.0 108.633 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 16.5 mt -45.08 -42.48 8.69 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.346 -0.847 . . . . 0.0 108.836 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.24 -39.6 85.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ALA . 25.1 t70 -50.95 -53.61 31.49 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.635 0.731 . . . . 0.0 109.788 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.61 -46.77 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.621 -0.675 . . . . 0.0 110.991 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -53.33 -34.62 58.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.385 -1.447 . . . . 0.0 109.377 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.92 -29.65 32.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 110.327 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.23 -44.7 68.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.208 -0.933 . . . . 0.0 109.345 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -74.06 -41.95 60.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -97.25 60.8 1.68 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.265 -0.897 . . . . 0.0 110.203 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.15 -9.3 8.86 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.48 -32.36 73.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.463 -1.022 . . . . 0.0 109.315 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.8 mp0 -147.63 -43.69 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.57 -1.331 . . . . 0.0 109.853 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.59 13.12 0.24 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLU . 48.6 t0 -49.17 -61.48 2.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.203 -1.174 . . . . 0.0 108.451 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.41 12.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 45.5 p-80 -116.56 48.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 89.2 mttt -130.63 148.9 52.48 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.56 142.83 51.05 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.8 153.43 18.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.921 -1.112 . . . . 0.0 109.823 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.38 -39.33 75.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.188 -0.945 . . . . 0.0 110.207 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.41 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 67.0 m -60.26 -40.34 89.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 110.919 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.72 -34.04 64.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.329 -0.949 . . . . 0.0 109.276 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.84 -43.22 89.16 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -51.01 -57.71 7.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.533 -1.355 . . . . 0.0 108.739 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -50.03 -36.23 28.0 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.389 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.68 -46.54 72.05 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.786 -1.196 . . . . 0.0 109.454 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.9 mt -53.71 -36.42 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.669 -1.269 . . . . 0.0 109.55 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -63.48 -42.18 98.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.377 -0.827 . . . . 0.0 111.323 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 22.5 t-20 -98.4 -18.72 18.13 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.033 -1.042 . . . . 0.0 111.309 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -93.33 -29.41 15.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.766 -1.209 . . . . 0.0 110.723 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.78 30.14 7.43 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 42' ' ' HIS . 4.2 p -68.67 -28.56 66.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.89 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.465 ' N ' ' HG ' ' A' ' 41' ' ' SER . 50.3 t-80 -74.17 -50.81 17.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.918 -1.114 . . . . 0.0 109.656 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -61.18 -28.7 69.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.72 -30.86 2.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.423 -0.798 . . . . 0.0 109.438 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.4 -37.16 52.55 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.01 -1.056 . . . . 0.0 109.398 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.25 59.67 4.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.284 -0.885 . . . . 0.0 110.01 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.94 110.61 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.94 -55.99 3.41 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.995 -1.066 . . . . 0.0 109.138 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 47.9 mp0 -75.45 106.37 6.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.488 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -82.36 -24.28 34.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.057 -1.027 . . . . 0.0 109.439 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.51 -22.22 59.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.302 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.17 -51.51 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.751 -1.218 . . . . 0.0 108.565 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -33.23 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 109.08 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.88 -42.92 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.283 -0.885 . . . . 0.0 109.964 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 93.3 mttt -70.22 -26.59 63.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.108 -0.995 . . . . 0.0 110.112 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.78 -56.59 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.793 -1.192 . . . . 0.0 108.239 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 20.1 mtt -55.15 -26.18 36.95 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.4 -0.813 . . . . 0.0 109.916 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.96 -35.17 20.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.095 -1.003 . . . . 0.0 109.053 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 3.0 m -69.83 -43.53 71.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.691 -1.256 . . . . 0.0 107.842 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' GLU . 72.0 mt -61.79 -57.77 10.58 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.705 -1.247 . . . . 0.0 107.994 177.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -49.38 -20.23 0.65 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.154 -0.967 . . . . 0.0 108.93 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' LEU . 94.5 mt-10 -103.52 42.64 1.15 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.236 1.017 . . . . 0.0 109.02 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.613 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.5 t0 -43.31 -35.93 1.67 Allowed 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.601 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.36 -10.8 0.01 OUTLIER Glycine 0 N--CA 1.495 2.607 0 O-C-N 122.009 -0.432 . . . . 0.0 112.429 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.613 ' H ' ' C ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -106.52 -31.33 8.57 Favored 'General case' 0 N--CA 1.515 2.789 0 CA-C-N 119.444 1.622 . . . . 0.0 112.116 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.61 -26.9 21.94 Favored Glycine 0 N--CA 1.501 2.98 0 O-C-N 119.924 -1.735 . . . . 0.0 109.053 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' A' ' 26' ' ' LYS . 8.3 pt-20 -149.5 129.42 13.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.084 -1.245 . . . . 0.0 109.913 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.85 127.82 49.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.265 -0.897 . . . . 0.0 109.432 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.74 5.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.477 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.5 t80 -75.5 -31.07 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.838 . . . . 0.0 109.156 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.72 -36.85 74.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.055 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.4 -21.97 61.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 109.603 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.43 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 46.1 t80 -75.58 -40.94 55.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.294 -0.879 . . . . 0.0 109.622 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.15 -47.5 67.88 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.197 -1.564 . . . . 0.0 109.119 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.26 17.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.222 -1.549 . . . . 0.0 111.576 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -58.1 -37.78 75.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.574 -1.329 . . . . 0.0 109.891 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 40.2 t -63.3 -31.47 52.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 108.742 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.94 -50.45 41.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.0 109.747 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.9 mmm -49.84 -39.03 37.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.72 -50.54 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.006 -1.059 . . . . 0.0 109.394 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.3 m -57.94 -41.82 83.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.112 -0.992 . . . . 0.0 108.706 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -73.95 -20.96 60.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.906 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.476 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.81 -37.55 84.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.51 -49.98 69.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.024 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' CG ' ' A' ' 42' ' ' HIS . 73.5 tt0 -51.01 -46.55 61.58 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.929 . . . . 0.0 108.984 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.12 -41.31 48.34 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.765 0.793 . . . . 0.0 109.889 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.36 55.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.776 -0.577 . . . . 0.0 111.153 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.27 73.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.459 -1.401 . . . . 0.0 107.88 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.83 -36.79 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.169 -0.957 . . . . 0.0 109.199 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 108.606 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' B' ' 9' ' ' ALA . 16.6 mt -45.13 -42.44 8.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.314 -0.866 . . . . 0.0 108.859 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 9' ' ' ALA . 25.1 t70 -50.99 -53.62 31.63 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.62 0.724 . . . . 0.0 109.811 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.56 -46.74 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.624 -0.673 . . . . 0.0 110.994 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.37 -34.59 58.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.372 -1.455 . . . . 0.0 109.372 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.93 -29.66 32.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 110.334 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.14 -44.8 68.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.291 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -74.13 -41.96 60.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.026 -1.046 . . . . 0.0 109.026 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -97.18 60.81 1.7 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.252 -0.905 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.21 -9.28 8.83 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.38 -32.46 73.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.422 -1.046 . . . . 0.0 109.348 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.8 mp0 -147.6 -43.73 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.613 -1.304 . . . . 0.0 109.899 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.58 13.07 0.24 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 48.6 t0 -49.1 -61.52 2.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -1.22 . . . . 0.0 108.4 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.38 12.35 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 45.5 p-80 -116.45 48.51 1.26 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' B' ' 67' ' ' GLU . 89.2 mttt -130.59 148.92 52.44 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 68' ' ' CYS . 13.8 tp -124.6 142.75 51.13 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.73 153.47 18.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.899 -1.126 . . . . 0.0 109.87 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.491 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.45 -39.3 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.41 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 67.1 m -60.23 -40.29 89.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 110.964 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.81 -33.99 64.42 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.286 -0.965 . . . . 0.0 109.247 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.5 tp -65.83 -43.26 89.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -50.97 -57.68 7.97 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.49 -1.381 . . . . 0.0 108.774 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -50.09 -36.13 28.18 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.425 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.77 -46.58 71.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.735 -1.228 . . . . 0.0 109.436 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.65 -36.45 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.689 -1.257 . . . . 0.0 109.574 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -63.47 -42.11 98.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -0.806 . . . . 0.0 111.322 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 22.5 t-20 -98.46 -18.74 18.06 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.054 -1.029 . . . . 0.0 111.287 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.27 -29.51 15.64 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.699 -1.251 . . . . 0.0 110.742 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.75 30.23 7.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.38 -0.825 . . . . 0.0 108.844 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.452 ' HG ' ' N ' ' B' ' 42' ' ' HIS . 4.2 p -68.73 -28.48 66.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.862 . . . . 0.0 109.898 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.452 ' N ' ' HG ' ' B' ' 41' ' ' SER . 50.2 t-80 -74.29 -50.7 17.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.942 -1.098 . . . . 0.0 109.678 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -61.24 -28.67 69.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.77 -30.87 2.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -0.797 . . . . 0.0 109.45 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -77.36 -37.15 52.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.989 -1.069 . . . . 0.0 109.424 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.27 59.69 4.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.313 -0.867 . . . . 0.0 110.101 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.92 110.63 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.93 -56.08 3.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 47.9 mp0 -75.4 106.35 6.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.923 . . . . 0.0 109.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.4 -24.17 34.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.57 -22.17 59.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.194 -0.941 . . . . 0.0 110.287 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.2 -51.52 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.648 -1.282 . . . . 0.0 108.532 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.41 -33.27 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.891 -1.131 . . . . 0.0 109.049 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.91 -42.88 94.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.277 -0.889 . . . . 0.0 109.982 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' B' ' 59' ' ' THR . 93.2 mttt -70.24 -26.53 63.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 110.122 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 80.8 t -65.77 -56.72 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.806 -1.184 . . . . 0.0 108.189 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.415 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 20.1 mtt -55.08 -26.17 36.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.391 -0.818 . . . . 0.0 109.909 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.95 -35.23 20.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.031 -1.043 . . . . 0.0 109.021 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 3.0 m -69.85 -43.51 71.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.722 -1.236 . . . . 0.0 107.824 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' B' ' 62' ' ' GLU . 72.1 mt -61.83 -57.66 10.96 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.704 -1.248 . . . . 0.0 108.0 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' B' ' 57' ' ' MET . 0.9 OUTLIER -49.44 -20.15 0.66 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 108.984 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' B' ' 60' ' ' LEU . 94.6 mt-10 -103.33 42.49 1.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.187 0.994 . . . . 0.0 109.303 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.2 t0 -43.48 -35.68 1.72 Allowed 'General case' 0 C--N 1.276 -2.611 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.236 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.28 -11.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.486 0 C-N-CA 121.394 -0.431 . . . . 0.0 112.52 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.8 OUTLIER -106.41 -31.39 8.59 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.477 1.638 . . . . 0.0 112.106 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.03 21.41 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.811 -1.806 . . . . 0.0 109.077 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' B' ' 26' ' ' LYS . 8.3 pt-20 -149.4 129.4 13.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.105 -1.232 . . . . 0.0 109.91 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' B' ' 27' ' ' LEU . 2.5 m -102.87 127.83 49.91 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.242 -0.911 . . . . 0.0 109.396 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.73 5.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 109.799 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.487 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 29.4 t80 -75.53 -31.02 59.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.334 -0.854 . . . . 0.0 109.177 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.78 -36.81 75.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.95 -1.094 . . . . 0.0 109.001 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.42 -22.01 61.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.131 -0.981 . . . . 0.0 109.571 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.429 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 46.2 t80 -75.52 -40.93 56.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.344 -0.847 . . . . 0.0 109.668 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.21 -47.41 67.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.194 -1.566 . . . . 0.0 109.093 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.45 -56.21 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.127 -1.608 . . . . 0.0 111.563 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.15 -37.75 75.25 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.561 -1.337 . . . . 0.0 109.863 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 40.3 t -63.28 -31.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.147 -0.971 . . . . 0.0 108.74 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.91 -50.44 42.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.0 109.741 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 mmm -49.8 -39.11 37.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.71 -50.49 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.99 -1.069 . . . . 0.0 109.419 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -57.97 -41.78 83.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.127 -0.983 . . . . 0.0 108.696 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -73.98 -20.98 60.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.527 -0.733 . . . . 0.0 109.853 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 10.3 p . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.04 -33.51 75.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.41 -49.98 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.835 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' OE1' ' OG ' ' A' ' 1' ' ' SER . 2.6 mp0 -53.16 -47.75 68.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.873 -1.142 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.58 -42.02 55.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.817 0.818 . . . . 0.0 109.771 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.18 -29.32 54.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.684 -0.635 . . . . 0.0 110.451 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.58 -45.02 94.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.713 -1.242 . . . . 0.0 108.475 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.85 -35.86 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.457 -0.777 . . . . 0.0 109.764 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.77 76.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 109.755 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -51.98 -56.23 15.5 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.904 0.859 . . . . 0.0 110.266 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.51 -37.85 47.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.86 -0.525 . . . . 0.0 110.142 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.99 -37.77 72.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.911 -1.118 . . . . 0.0 110.634 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.38 -42.69 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.439 -1.413 . . . . 0.0 109.012 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -54.34 -31.86 55.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.65 -1.281 . . . . 0.0 108.031 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.6 -31.43 47.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.616 -0.677 . . . . 0.0 110.097 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.36 -45.29 72.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.86 . . . . 0.0 109.918 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -72.47 -44.32 62.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.938 -1.101 . . . . 0.0 109.178 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -97.34 60.32 1.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 0.0 109.978 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.72 -9.56 8.28 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.13 -31.85 72.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.603 -0.94 . . . . 0.0 108.976 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' ASP . 36.7 mt-10 -148.69 -45.33 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.644 -1.285 . . . . 0.0 109.877 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.11 15.09 0.17 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 21' ' ' GLU . 89.8 m-20 -48.03 -57.33 5.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -1.191 . . . . 0.0 108.35 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.62 16.82 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 25' ' ' HIS . 12.1 p-80 -105.87 45.57 0.97 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.84 150.54 52.12 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.904 -0.498 . . . . 0.0 109.776 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.52 140.85 52.56 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.44 153.4 21.19 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.948 -1.095 . . . . 0.0 109.622 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 30' ' ' SER . 13.7 pttt -60.11 -41.47 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 110.338 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.418 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 50.2 m -56.38 -37.38 70.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 110.902 -178.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.18 -35.38 28.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.889 -1.132 . . . . 0.0 109.035 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.48 -45.58 88.37 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 2.2 ttmp? -52.78 -57.68 9.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.7 -1.25 . . . . 0.0 108.684 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.63 -37.41 28.01 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.08 -38.21 85.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.989 -1.069 . . . . 0.0 109.439 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.81 -34.66 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.745 -1.222 . . . . 0.0 109.324 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -64.97 -47.9 75.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.539 -0.726 . . . . 0.0 112.248 -177.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.63 6.22 42.26 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.771 -1.206 . . . . 0.0 111.79 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.42 -21.47 5.77 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.023 -1.048 . . . . 0.0 110.854 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.65 24.47 9.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.128 -0.982 . . . . 0.0 109.954 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -73.55 -25.87 60.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.415 ' HD1' ' N ' ' A' ' 42' ' ' HIS . 2.0 m80 -73.12 -51.39 18.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.145 -0.972 . . . . 0.0 110.043 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -64.23 -16.98 63.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.984 . . . . 0.0 109.39 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -33.92 3.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 109.638 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.01 -36.13 49.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.039 -1.038 . . . . 0.0 110.269 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.39 56.98 3.81 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 111.062 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.8 128.34 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.14 -55.69 2.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.275 -0.89 . . . . 0.0 109.693 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.32 107.13 6.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.158 -0.964 . . . . 0.0 109.655 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.0 -24.38 30.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.405 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -73.05 -22.53 60.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -0.886 . . . . 0.0 110.143 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.75 -47.54 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.682 -1.261 . . . . 0.0 107.777 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.47 -33.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.026 -1.046 . . . . 0.0 108.985 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.95 -45.84 89.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.44 -0.787 . . . . 0.0 109.647 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -69.84 -25.94 63.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.867 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.89 -56.97 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.783 -1.198 . . . . 0.0 107.919 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.55 -25.84 18.74 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.309 -0.869 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.4 -38.49 15.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.111 -0.993 . . . . 0.0 109.035 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.83 -46.18 72.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 23.0 tp -59.91 -57.57 12.29 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.887 -1.133 . . . . 0.0 108.14 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.08 -18.84 0.62 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 109.36 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 57.6 mm-40 -101.23 41.31 1.2 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 122.21 1.005 . . . . 0.0 109.402 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.613 ' C ' ' H ' ' A' ' 65' ' ' ASP . 31.3 t0 -44.7 -35.04 2.47 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.231 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.3 -7.17 0.01 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.423 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.613 ' H ' ' C ' ' A' ' 63' ' ' ASP . 89.2 m-20 -104.56 -31.21 9.54 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 119.349 1.575 . . . . 0.0 111.99 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.78 -26.12 24.33 Favored Glycine 0 N--CA 1.502 3.058 0 O-C-N 119.858 -1.776 . . . . 0.0 108.881 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.85 131.32 16.7 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.271 -1.135 . . . . 0.0 109.239 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.07 127.22 52.79 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.105 -0.997 . . . . 0.0 109.569 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.09 5.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.32 -0.863 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.25 -25.71 59.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.446 -0.784 . . . . 0.0 109.253 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.38 -36.57 84.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.842 -1.162 . . . . 0.0 108.948 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.52 -22.48 61.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.212 -0.93 . . . . 0.0 109.737 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -76.24 -42.3 46.32 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -0.774 . . . . 0.0 109.203 178.582 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.41 -56.11 9.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.161 -1.587 . . . . 0.0 108.954 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.17 58.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.331 -1.481 . . . . 0.0 110.783 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.52 -34.53 72.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.72 -1.237 . . . . 0.0 109.64 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.03 -32.9 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.0 108.607 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.33 -53.19 20.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.538 ' O ' ' N ' ' A' ' 83' ' ' ALA . 42.1 mtp -52.08 -52.11 53.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.0 109.895 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.05 -39.78 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.607 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -69.39 -48.73 60.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.039 -1.038 . . . . 0.0 108.82 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.3 p -72.67 -18.4 61.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.498 -0.752 . . . . 0.0 109.703 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 0.0 109.235 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 10.4 p . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.0 -33.42 75.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.41 -50.01 74.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.804 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 1' ' ' SER . 2.6 mp0 -53.19 -47.72 68.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.932 -1.105 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.7 -41.9 56.39 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.804 0.811 . . . . 0.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.38 54.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.699 -0.625 . . . . 0.0 110.459 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.52 -45.0 94.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.743 -1.223 . . . . 0.0 108.457 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -69.96 -35.8 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.454 -0.779 . . . . 0.0 109.708 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.83 76.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.269 -0.894 . . . . 0.0 109.744 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.9 -56.22 15.43 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.884 0.85 . . . . 0.0 110.26 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.2 mt -55.59 -37.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.144 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -70.92 -37.79 72.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.896 -1.127 . . . . 0.0 110.658 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.38 -42.71 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.447 -1.408 . . . . 0.0 108.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.25 -31.86 54.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.664 -1.272 . . . . 0.0 108.013 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.72 -31.39 46.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.605 -0.684 . . . . 0.0 110.056 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.33 -45.24 72.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -72.49 -44.28 62.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.941 -1.099 . . . . 0.0 109.169 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -97.42 60.42 1.61 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.75 -9.53 8.27 Favored Glycine 0 N--CA 1.5 2.953 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.15 -31.77 72.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.616 -0.932 . . . . 0.0 108.973 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 23' ' ' ASP . 36.7 mt-10 -148.75 -45.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.694 -1.254 . . . . 0.0 109.848 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.08 15.11 0.17 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 21' ' ' GLU . 89.7 m-20 -48.07 -57.36 5.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -1.169 . . . . 0.0 108.32 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.52 16.88 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.431 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.0 p-80 -105.81 45.61 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.8 150.49 52.14 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.906 -0.496 . . . . 0.0 109.807 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.51 140.89 52.52 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.41 153.31 21.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.956 -1.09 . . . . 0.0 109.671 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' B' ' 30' ' ' SER . 13.7 pttt -59.96 -41.59 92.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 110.377 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.422 ' H ' ' HG3' ' B' ' 29' ' ' LYS . 50.2 m -56.29 -37.38 69.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 110.939 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.22 -35.44 28.21 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.984 -1.072 . . . . 0.0 109.006 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.46 -45.61 88.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.439 ' CB ' ' NZ ' ' B' ' 33' ' ' LYS . 2.2 ttmp? -52.84 -57.6 9.66 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.626 -1.296 . . . . 0.0 108.664 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.72 -37.2 28.27 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.23 -38.16 84.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.055 -1.028 . . . . 0.0 109.436 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.82 -34.75 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.733 -1.23 . . . . 0.0 109.287 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.405 ' C ' ' ND2' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -64.89 -47.9 76.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 112.244 -177.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -89.69 6.27 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.814 -1.179 . . . . 0.0 111.759 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.47 -21.49 5.74 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.075 -1.015 . . . . 0.0 110.83 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.59 24.37 9.22 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.24 -0.912 . . . . 0.0 109.98 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -73.5 -25.88 60.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 109.758 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.402 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 2.0 m80 -73.15 -51.35 18.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.151 -0.968 . . . . 0.0 110.036 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.31 -16.99 63.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.19 -0.944 . . . . 0.0 109.39 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.66 -34.01 3.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.675 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.05 -36.09 48.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.44 57.0 3.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 111.079 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 68.7 mt -127.81 128.27 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.12 -55.73 2.36 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.292 -0.88 . . . . 0.0 109.65 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.28 107.14 6.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -84.01 -24.38 30.56 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.072 -1.018 . . . . 0.0 109.402 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -73.05 -22.45 60.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.156 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.1 t -72.81 -47.56 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.628 -1.295 . . . . 0.0 107.733 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.46 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.08 -1.013 . . . . 0.0 108.992 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.94 -45.85 89.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.454 -0.779 . . . . 0.0 109.65 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' B' ' 59' ' ' THR . 27.2 mmtp -69.81 -25.92 64.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.198 -0.939 . . . . 0.0 109.864 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.92 -57.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.734 -1.229 . . . . 0.0 107.887 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.8 mmt -53.5 -25.83 18.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.869 . . . . 0.0 109.486 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.42 -38.51 14.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.132 -0.98 . . . . 0.0 109.035 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 7.0 m -67.7 -46.22 72.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.93 -57.57 12.31 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.862 -1.149 . . . . 0.0 108.099 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.09 -18.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.44 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -100.76 40.72 1.24 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.128 0.966 . . . . 0.0 109.697 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' B' ' 65' ' ' ASP . 27.5 t0 -45.02 -34.12 2.35 Favored 'General case' 0 C--N 1.276 -2.611 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.23 -8.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.618 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.609 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 63' ' ' ASP . 89.2 m-20 -104.14 -31.17 9.77 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.466 1.633 . . . . 0.0 112.096 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.86 -26.26 23.83 Favored Glycine 0 N--CA 1.499 2.878 0 O-C-N 119.939 -1.726 . . . . 0.0 108.85 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.72 131.22 16.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.279 -1.13 . . . . 0.0 109.244 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.0 127.22 52.77 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.139 -0.976 . . . . 0.0 109.598 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.01 5.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.3 -25.71 59.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.425 -0.797 . . . . 0.0 109.22 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.4 -36.53 84.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.88 -1.138 . . . . 0.0 108.964 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.58 -22.46 61.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -76.3 -42.21 46.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.477 -0.765 . . . . 0.0 109.213 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.5 -56.04 9.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.2 -1.563 . . . . 0.0 108.988 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.2 58.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.366 -1.459 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.51 -34.49 72.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.756 -1.215 . . . . 0.0 109.659 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.07 -32.86 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.975 . . . . 0.0 108.635 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.35 -53.26 20.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.234 -0.917 . . . . 0.0 109.645 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.53 ' O ' ' N ' ' B' ' 83' ' ' ALA . 42.2 mtp -52.03 -52.07 53.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.173 -0.954 . . . . 0.0 109.903 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.11 -39.77 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.425 -0.797 . . . . 0.0 109.594 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.7 m -69.43 -48.72 60.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.1 p -72.71 -18.36 61.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.665 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 p . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.07 69.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.66 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.62 -49.97 75.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.294 -0.879 . . . . 0.0 109.626 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.15 -47.06 84.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.002 -1.061 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -46.63 -42.95 17.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.825 0.821 . . . . 0.0 109.724 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.52 -28.65 41.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.666 -0.646 . . . . 0.0 110.749 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.17 -47.79 82.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.388 -1.445 . . . . 0.0 108.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 0.0 109.536 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.68 81.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.152 -0.967 . . . . 0.0 109.329 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.66 -45.12 27.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.876 -1.14 . . . . 0.0 109.003 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.62 -43.33 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.459 -0.897 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -50.69 -49.44 57.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.561 -0.712 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -76.79 -46.55 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 110.991 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -51.07 -33.82 27.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.531 -1.355 . . . . 0.0 109.319 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -80.47 -30.37 37.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 110.361 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -54.01 -45.02 71.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -73.91 -39.7 63.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.024 -1.047 . . . . 0.0 108.886 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.9 56.61 0.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.79 . . . . 0.0 109.912 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.7 11.09 Favored Glycine 0 N--CA 1.503 3.113 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -65.67 -32.24 73.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.589 -0.948 . . . . 0.0 109.251 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 23' ' ' ASP . 47.0 mt-10 -146.96 -45.27 0.18 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.29 0.25 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 21' ' ' GLU . 17.4 m-20 -47.9 -63.17 1.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.113 -1.227 . . . . 0.0 108.348 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -88.81 172.81 8.94 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.46 ' CE1' ' NZ ' ' A' ' 26' ' ' LYS . 21.9 p-80 -118.98 49.8 1.28 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' NZ ' ' CE1' ' A' ' 25' ' ' HIS . 50.2 mttp -130.75 147.16 52.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.894 -0.504 . . . . 0.0 109.646 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.13 52.67 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.04 149.13 25.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.01 -1.056 . . . . 0.0 109.446 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.1 pttm -57.21 -41.31 79.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.849 -1.157 . . . . 0.0 109.695 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 39.9 m -57.76 -39.61 77.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.645 -0.659 . . . . 0.0 111.137 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.27 -34.84 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.905 -1.122 . . . . 0.0 108.922 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -45.14 95.42 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.93 -57.15 12.05 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.687 -1.258 . . . . 0.0 108.829 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.01 -36.56 18.05 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.571 -0.851 . . . . 0.0 108.942 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.44 -36.31 78.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.929 . . . . 0.0 109.698 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.85 -35.73 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.806 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.64 -48.81 68.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 111.819 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.44 5.91 32.85 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.042 -1.036 . . . . 0.0 111.452 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.83 -26.61 3.45 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.989 -1.069 . . . . 0.0 111.178 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.63 12.36 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.1 -1.0 . . . . 0.0 109.138 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.75 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.427 -0.796 . . . . 0.0 109.536 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.434 ' C ' ' ND1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -72.88 -49.82 27.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 0.0 110.067 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.04 -19.2 64.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 109.806 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.48 -25.94 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.436 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -78.48 -39.21 39.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -0.974 . . . . 0.0 109.927 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.1 57.99 3.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.266 -0.896 . . . . 0.0 110.375 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -117.72 104.5 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -83.63 -51.13 7.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.006 -1.059 . . . . 0.0 109.173 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.02 103.09 12.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.118 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.32 -21.47 45.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.93 -1.106 . . . . 0.0 109.468 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.32 -21.97 60.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.6 t -74.69 -49.97 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.62 -1.3 . . . . 0.0 108.071 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.97 -33.52 58.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.886 -1.134 . . . . 0.0 108.917 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.12 -46.57 89.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.33 -0.856 . . . . 0.0 109.647 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.16 -26.85 65.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.061 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.08 -56.15 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.69 -1.256 . . . . 0.0 108.267 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.63 -25.36 38.54 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.358 -0.838 . . . . 0.0 110.4 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -85.73 -35.43 20.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.9 -1.125 . . . . 0.0 109.28 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.91 -47.13 69.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.805 -1.184 . . . . 0.0 108.012 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.23 -56.72 18.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.642 -1.286 . . . . 0.0 107.829 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.16 -22.61 1.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 108.952 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -103.41 41.62 1.25 Allowed 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 122.106 0.955 . . . . 0.0 109.012 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.621 ' C ' ' H ' ' A' ' 65' ' ' ASP . 22.9 p-10 -43.85 -34.12 1.52 Allowed 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.726 0.774 . . . . 0.0 109.67 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.17 -9.07 0.01 OUTLIER Glycine 0 N--CA 1.495 2.571 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.621 ' H ' ' C ' ' A' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.82 8.11 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 119.226 1.513 . . . . 0.0 112.101 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -26.09 23.38 Favored Glycine 0 N--CA 1.502 3.087 0 O-C-N 119.836 -1.79 . . . . 0.0 109.494 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -149.3 131.46 15.43 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.095 -1.238 . . . . 0.0 109.776 179.169 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.88 125.48 48.57 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.096 -1.002 . . . . 0.0 109.518 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.2 m-20 -83.81 -173.42 4.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.271 -0.893 . . . . 0.0 110.021 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.84 -26.43 59.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.305 -0.872 . . . . 0.0 109.052 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -62.65 -35.64 80.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.801 -1.187 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -73.18 -23.11 60.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.141 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 3.2 t80 -78.28 -42.07 32.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 109.566 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.56 -31.14 68.06 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.381 -1.449 . . . . 0.0 109.514 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.31 -55.24 5.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.199 -1.563 . . . . 0.0 110.906 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.28 -33.8 71.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.521 -1.362 . . . . 0.0 109.707 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.9 t -65.1 -32.38 58.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.262 -0.898 . . . . 0.0 108.619 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.06 -51.28 40.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.48 -40.1 50.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 110.418 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.23 -57.23 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.006 -1.059 . . . . 0.0 109.516 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.6 p -60.39 -38.55 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.05 -1.031 . . . . 0.0 108.503 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -74.64 -20.83 59.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.605 -0.684 . . . . 0.0 110.061 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 O-C-N 120.895 -1.128 . . . . 0.0 108.703 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.04 69.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.944 . . . . 0.0 109.681 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.71 -49.89 75.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.621 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.15 -47.11 84.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.055 -1.028 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -46.53 -43.05 16.62 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.827 0.822 . . . . 0.0 109.713 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.53 -28.64 41.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.72 -0.612 . . . . 0.0 110.716 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.12 -47.84 82.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.42 -1.425 . . . . 0.0 108.558 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.485 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.62 81.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.72 -45.11 28.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.927 -1.108 . . . . 0.0 109.008 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.69 -43.25 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.605 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.78 -49.44 58.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.579 -0.701 . . . . 0.0 110.049 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.9 t -76.77 -46.63 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -0.876 . . . . 0.0 110.927 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -50.95 -33.88 26.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.515 -1.366 . . . . 0.0 109.312 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -80.51 -30.34 37.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 110.351 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -53.99 -45.1 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.188 -0.945 . . . . 0.0 109.959 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -73.88 -39.62 63.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.046 -1.034 . . . . 0.0 108.934 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.98 56.63 0.96 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 109.841 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.75 11.05 Favored Glycine 0 N--CA 1.503 3.11 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -65.69 -32.23 73.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.623 -0.927 . . . . 0.0 109.186 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' B' ' 23' ' ' ASP . 47.0 mt-10 -146.94 -45.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.584 -1.323 . . . . 0.0 109.923 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.27 0.25 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' B' ' 21' ' ' GLU . 17.4 m-20 -47.91 -63.21 1.13 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.142 -1.21 . . . . 0.0 108.293 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -88.81 172.79 8.95 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CE1' ' NZ ' ' B' ' 26' ' ' LYS . 21.9 p-80 -118.93 49.73 1.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.463 ' NZ ' ' CE1' ' B' ' 25' ' ' HIS . 50.3 mttp -130.75 147.22 52.39 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.12 52.68 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.06 149.12 25.38 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.034 -1.041 . . . . 0.0 109.455 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.1 pttm -57.12 -41.38 78.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.85 -1.156 . . . . 0.0 109.681 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 39.6 m -57.73 -39.66 77.84 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.645 -0.659 . . . . 0.0 111.112 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.21 -34.81 37.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.889 -1.132 . . . . 0.0 108.974 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.77 -45.09 95.7 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.95 -57.1 12.25 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.681 -1.262 . . . . 0.0 108.844 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.1 -36.56 19.02 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.933 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.37 -36.36 79.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 0.0 109.706 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.83 -35.64 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.799 -1.188 . . . . 0.0 109.84 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.66 -48.81 68.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.797 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.43 5.81 33.26 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.022 -1.049 . . . . 0.0 111.463 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.73 -26.64 3.47 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.992 -1.067 . . . . 0.0 111.17 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.62 12.36 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.09 -1.006 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.81 61.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 0.3 OUTLIER -72.8 -49.87 27.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.085 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.1 -19.13 64.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.771 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -25.93 2.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.288 -0.883 . . . . 0.0 109.474 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -78.55 -39.15 38.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.161 -0.962 . . . . 0.0 109.889 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.07 57.93 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.207 -0.933 . . . . 0.0 110.422 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -117.71 104.61 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -83.7 -51.13 7.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.028 -1.045 . . . . 0.0 109.162 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.07 103.15 13.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.885 . . . . 0.0 109.09 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.34 -21.46 45.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.971 -1.081 . . . . 0.0 109.454 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -73.39 -21.97 60.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.174 -0.954 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.6 -49.99 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.678 -1.264 . . . . 0.0 108.107 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.06 -33.44 58.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 120.957 -1.089 . . . . 0.0 108.885 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.21 -46.47 89.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -0.886 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.2 -26.83 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 110.085 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.13 -56.15 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.72 -1.238 . . . . 0.0 108.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.6 -25.47 38.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.469 -0.77 . . . . 0.0 110.323 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -85.65 -35.42 20.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.962 -1.086 . . . . 0.0 109.283 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.96 -47.1 69.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.798 -1.189 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.19 -56.71 18.66 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.681 -1.262 . . . . 0.0 107.841 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.22 -22.54 1.78 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 108.94 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -103.45 41.72 1.24 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.199 0.999 . . . . 0.0 109.272 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.589 ' C ' ' H ' ' B' ' 65' ' ' ASP . 22.9 p-10 -43.59 -34.37 1.4 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.03 -9.08 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.019 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.71 8.16 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 119.145 1.473 . . . . 0.0 112.113 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.1 -26.29 22.57 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 119.769 -1.832 . . . . 0.0 109.447 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -149.2 131.51 15.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.129 -1.218 . . . . 0.0 109.715 179.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.94 125.53 48.65 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.176 -0.953 . . . . 0.0 109.468 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 1.2 m-20 -83.87 -173.44 4.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.013 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -74.83 -26.37 59.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.087 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.74 -35.62 80.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.936 -1.102 . . . . 0.0 108.372 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -73.14 -23.14 60.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 3.2 t80 -78.35 -42.02 31.77 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.52 -31.2 68.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.373 -1.454 . . . . 0.0 109.527 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.25 -55.25 5.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.241 -1.537 . . . . 0.0 110.919 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.25 -33.86 71.54 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.536 -1.352 . . . . 0.0 109.708 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 40.1 t -65.07 -32.37 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 0.0 108.633 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.12 -51.15 41.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.301 -0.874 . . . . 0.0 109.565 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.56 -40.02 50.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.968 . . . . 0.0 110.447 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.27 -57.24 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.966 -1.084 . . . . 0.0 109.479 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.8 p -60.39 -38.56 84.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.089 -1.007 . . . . 0.0 108.507 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 m -74.69 -20.8 59.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.553 -0.717 . . . . 0.0 110.05 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.162 . . . . 0.0 108.693 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.1 -34.51 78.2 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.066 -1.021 . . . . 0.0 109.385 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.56 -52.88 63.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.296 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -53.1 -46.96 68.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.76 -44.55 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.947 0.88 . . . . 0.0 109.346 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.72 -29.55 51.26 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.919 -0.488 . . . . 0.0 110.723 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.43 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -62.81 -47.15 84.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.678 -1.264 . . . . 0.0 108.545 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.03 -35.99 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.485 -0.759 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.79 76.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.896 -1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.88 -55.72 21.09 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.955 0.883 . . . . 0.0 110.269 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.04 -43.11 68.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.894 -0.504 . . . . 0.0 110.371 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.93 -36.89 78.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.779 -1.2 . . . . 0.0 110.578 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.65 -36.08 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.479 -1.388 . . . . 0.0 108.91 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.77 -31.77 66.84 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.063 -1.023 . . . . 0.0 108.346 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.08 -30.47 43.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.57 -0.706 . . . . 0.0 109.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.472 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 13.3 tm0? -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.074 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.472 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 24.0 m-85 -75.01 -41.22 59.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.083 -1.01 . . . . 0.0 109.323 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.431 ' O ' ' OG ' ' A' ' 18' ' ' SER . 15.2 p -97.24 57.58 1.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.58 -11.26 8.02 Favored Glycine 0 N--CA 1.501 3.013 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.14 -29.73 69.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.528 -0.983 . . . . 0.0 108.794 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' A' ' 23' ' ' ASP . 7.7 pt-20 -147.85 -45.68 0.16 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.675 -1.266 . . . . 0.0 110.02 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.73 7.45 0.28 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' A' ' 21' ' ' GLU . 57.7 t0 -49.37 -61.88 1.85 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.285 . . . . 0.0 108.269 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.2 -178.43 5.65 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -129.25 48.87 2.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.51 145.82 51.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.76 -0.587 . . . . 0.0 109.717 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.7 142.49 51.36 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -94.67 158.99 15.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.079 -1.013 . . . . 0.0 109.924 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -63.04 -37.95 89.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.08 -43.67 95.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 111.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.25 -33.42 49.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.95 -1.094 . . . . 0.0 109.084 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.04 -43.27 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.51 -56.42 13.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.636 -1.29 . . . . 0.0 108.712 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.6 -34.03 7.32 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.498 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.86 -46.79 70.74 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.925 -1.109 . . . . 0.0 109.476 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.25 -35.15 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.818 -1.176 . . . . 0.0 109.768 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -68.07 -26.8 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 112.145 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.71 -18.86 13.72 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.956 -1.09 . . . . 0.0 111.66 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -102.37 -26.12 13.4 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.843 -1.161 . . . . 0.0 110.828 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -112.76 24.02 12.87 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 p -72.85 -26.02 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.485 -0.759 . . . . 0.0 109.734 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.9 -50.35 20.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.065 -1.022 . . . . 0.0 110.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLU . 79.6 m-85 -64.22 -25.58 68.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.145 -0.972 . . . . 0.0 109.669 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -16.88 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.287 -0.883 . . . . 0.0 109.174 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' PHE . 54.3 tt0 -82.93 -42.28 17.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 110.144 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -85.7 58.11 4.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.222 -0.924 . . . . 0.0 110.281 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.6 mm -117.38 104.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.515 -0.741 . . . . 0.0 109.058 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.93 -44.52 7.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.143 -0.973 . . . . 0.0 109.524 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLU . 16.7 tp10 -87.56 66.07 8.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.0 108.997 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.31 -20.99 0.06 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 110.69 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' GLU . 20.4 mt-10 -74.04 -24.73 59.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 111.031 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.75 -49.78 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.374 -1.454 . . . . 0.0 108.021 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.17 -33.49 58.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 108.56 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.47 -45.77 90.7 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' THR . 58.0 mttp -68.38 -27.24 66.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 109.706 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.22 -56.07 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.615 -1.303 . . . . 0.0 107.574 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -29.11 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.119 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.18 -38.7 16.15 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.03 -1.044 . . . . 0.0 109.151 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LYS . 53.2 m -66.6 -42.31 87.07 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.72 -57.65 6.0 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.874 -1.141 . . . . 0.0 108.295 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -50.73 -19.49 0.96 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.08 -1.012 . . . . 0.0 109.234 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.33 43.08 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.35 1.071 . . . . 0.0 108.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.621 ' C ' ' H ' ' A' ' 65' ' ' ASP . 39.8 t0 -44.22 -32.76 1.35 Allowed 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.405 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.12 -10.45 0.01 OUTLIER Glycine 0 N--CA 1.499 2.883 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.6 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.621 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.1 p30 -106.13 -31.48 8.68 Favored 'General case' 0 N--CA 1.512 2.645 0 CA-C-N 119.264 1.532 . . . . 0.0 112.022 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.63 -24.34 27.44 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 119.918 -1.738 . . . . 0.0 109.271 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.74 131.07 15.61 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.123 -1.222 . . . . 0.0 109.719 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 63' ' ' ASP . 10.8 m -105.31 126.92 52.65 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 109.441 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.14 -171.77 3.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.05 -36.12 64.34 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.2 -37.53 77.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.866 -1.146 . . . . 0.0 109.288 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -73.78 -24.99 59.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.282 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 10.2 t80 -76.32 -41.15 49.47 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.17 -26.74 67.56 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.639 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.31 42.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.368 -1.457 . . . . 0.0 110.02 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -64.1 -32.63 74.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.556 -1.34 . . . . 0.0 109.354 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.535 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -66.94 -35.65 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 109.23 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 p -71.51 -55.48 7.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.145 -0.972 . . . . 0.0 110.125 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.05 48.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 110.475 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.0 -42.78 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.076 -1.015 . . . . 0.0 109.875 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -68.64 -42.44 78.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.909 -1.119 . . . . 0.0 108.526 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -72.98 -20.4 61.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.525 -0.734 . . . . 0.0 109.742 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.009 -1.057 . . . . 0.0 108.577 179.633 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.1 -34.51 78.21 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.53 -52.91 63.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -53.13 -47.04 68.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.948 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.68 -44.57 38.02 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.948 0.88 . . . . 0.0 109.341 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.77 -29.49 50.99 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.43 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -62.88 -47.08 84.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.647 -1.283 . . . . 0.0 108.575 179.561 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.02 -35.97 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.557 -0.714 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.83 76.24 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.877 -1.139 . . . . 0.0 109.22 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.87 -55.79 20.54 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.294 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.02 -43.08 67.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.919 -0.488 . . . . 0.0 110.389 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.794 -1.191 . . . . 0.0 110.569 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.67 -36.09 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.461 -1.399 . . . . 0.0 108.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -57.73 -31.85 66.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.001 -1.062 . . . . 0.0 108.346 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.09 -30.32 43.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 13.3 tm0? -54.81 -45.32 74.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.472 -0.767 . . . . 0.0 110.075 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 24.1 m-85 -74.98 -41.18 60.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 109.339 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' B' ' 18' ' ' SER . 15.2 p -97.25 57.57 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 109.54 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.52 -11.29 8.05 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.11 -29.71 69.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.982 . . . . 0.0 108.778 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 23' ' ' ASP . 7.8 pt-20 -147.86 -45.78 0.16 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.572 -1.33 . . . . 0.0 109.977 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.75 7.37 0.28 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' B' ' 21' ' ' GLU . 57.7 t0 -49.31 -61.89 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 108.274 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.25 -178.49 5.65 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 1.0 OUTLIER -129.19 48.92 2.3 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.5 145.8 51.92 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.844 -0.535 . . . . 0.0 109.76 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.71 142.49 51.36 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -94.67 159.01 15.26 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.088 -1.008 . . . . 0.0 109.906 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -63.07 -37.93 89.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.379 -0.826 . . . . 0.0 110.258 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.14 -43.6 95.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.95 . . . . 0.0 111.346 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -78.23 -33.49 49.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.989 -1.07 . . . . 0.0 109.125 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.06 -43.27 92.82 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.44 -56.45 13.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.627 -1.296 . . . . 0.0 108.743 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.68 -33.95 7.51 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.488 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.89 -46.79 70.67 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.849 -1.157 . . . . 0.0 109.442 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.26 -35.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.903 -1.123 . . . . 0.0 109.751 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -67.99 -26.87 66.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 112.192 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.68 -18.83 13.73 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.993 -1.067 . . . . 0.0 111.654 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -102.38 -26.1 13.4 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.774 -1.204 . . . . 0.0 110.871 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.76 24.04 12.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.22 -0.925 . . . . 0.0 109.28 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -72.89 -26.0 61.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.495 -0.753 . . . . 0.0 109.718 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.96 -50.33 20.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.086 -1.009 . . . . 0.0 109.975 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.462 ' C ' ' N ' ' B' ' 45' ' ' GLU . 79.6 m-85 -64.28 -25.56 68.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.58 -16.83 0.07 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' B' ' 43' ' ' PHE . 54.3 tt0 -82.97 -42.27 17.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 110.109 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -85.69 58.1 4.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.265 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.401 HG21 HD11 ' B' ' 47' ' ' ILE . 37.5 mm -117.43 104.27 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.47 -0.769 . . . . 0.0 109.0 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.91 -44.63 7.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.175 -0.953 . . . . 0.0 109.461 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 51' ' ' GLU . 16.6 tp10 -87.53 66.06 8.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.105 -0.997 . . . . 0.0 109.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -45.24 -21.09 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.664 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 49' ' ' GLU . 20.4 mt-10 -74.03 -24.71 59.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 111.023 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.74 -49.84 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.336 -1.478 . . . . 0.0 107.979 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.12 -33.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.019 -1.051 . . . . 0.0 108.519 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.38 -45.8 90.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.489 -0.757 . . . . 0.0 109.448 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 59' ' ' THR . 58.0 mttp -68.46 -27.22 65.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 0.0 109.638 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.15 -56.17 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.657 -1.277 . . . . 0.0 107.58 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -29.16 20.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.462 -0.774 . . . . 0.0 109.109 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.19 -38.62 16.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.0 109.161 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.437 ' N ' ' O ' ' B' ' 55' ' ' LYS . 54.3 m -66.71 -42.24 86.67 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.74 -57.61 6.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 108.247 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.73 -19.49 0.97 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.244 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -101.25 43.05 1.08 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.369 1.081 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' B' ' 65' ' ' ASP . 40.1 t0 -44.18 -32.72 1.32 Allowed 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.064 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.1 -10.7 0.01 OUTLIER Glycine 0 N--CA 1.494 2.561 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.713 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.611 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.1 p30 -105.96 -31.61 8.69 Favored 'General case' 0 N--CA 1.51 2.566 0 CA-C-N 119.237 1.518 . . . . 0.0 111.973 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -24.47 26.78 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 119.872 -1.768 . . . . 0.0 109.216 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.69 130.99 15.58 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.127 -1.219 . . . . 0.0 109.702 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.439 ' SG ' ' CG ' ' B' ' 63' ' ' ASP . 10.8 m -105.31 126.95 52.67 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.12 -0.988 . . . . 0.0 109.454 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.17 -171.74 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.253 -0.904 . . . . 0.0 110.453 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.09 -36.06 64.24 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.26 -37.47 77.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.843 -1.161 . . . . 0.0 109.282 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -73.8 -25.03 59.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.061 -1.025 . . . . 0.0 110.253 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 10.2 t80 -76.36 -41.04 49.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.25 -26.69 67.48 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.354 -1.466 . . . . 0.0 108.649 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.06 -45.24 42.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.346 -1.471 . . . . 0.0 110.028 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.1 -32.68 74.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.579 -1.326 . . . . 0.0 109.321 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.547 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.2 t -66.89 -35.7 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.244 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 p -71.46 -55.54 7.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.143 -0.973 . . . . 0.0 110.161 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.03 48.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.14 -0.975 . . . . 0.0 110.524 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.98 -42.8 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.076 -1.015 . . . . 0.0 109.863 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.9 m -68.71 -42.37 77.79 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.899 -1.125 . . . . 0.0 108.53 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -72.99 -20.43 61.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.538 -0.726 . . . . 0.0 109.731 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.068 -1.02 . . . . 0.0 108.557 179.644 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 54.2 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.41 -33.39 67.82 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.41 -49.97 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.863 . . . . 0.0 109.8 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -52.82 -48.2 67.12 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.855 -1.153 . . . . 0.0 109.086 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.59 -43.19 46.14 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.651 0.739 . . . . 0.0 109.724 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.02 49.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.758 -0.589 . . . . 0.0 110.5 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.37 -47.74 82.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.632 -1.292 . . . . 0.0 107.855 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.76 -37.26 77.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.525 -0.734 . . . . 0.0 109.115 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.09 79.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.282 -0.886 . . . . 0.0 108.704 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.25 -47.24 24.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 108.853 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.7 -43.37 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.89 -50.5 34.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.559 0.695 . . . . 0.0 110.045 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -76.59 -33.9 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.6 -0.688 . . . . 0.0 111.106 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.45 -34.56 75.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.27 -1.519 . . . . 0.0 108.894 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.09 -32.45 33.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.444 -0.785 . . . . 0.0 110.067 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -54.09 -45.87 71.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.39 -47.81 53.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.019 -1.051 . . . . 0.0 109.234 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.3 p -100.07 60.95 1.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.37 -0.831 . . . . 0.0 110.045 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.01 -13.12 5.57 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -66.07 -29.55 69.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -1.044 . . . . 0.0 109.01 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.5 pt-20 -147.6 -45.7 0.17 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.611 -1.306 . . . . 0.0 109.504 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.38 18.02 0.09 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.9 m-20 -48.16 -53.95 15.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.15 -1.206 . . . . 0.0 108.302 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.73 -179.96 5.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -132.84 45.59 2.72 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -137.47 150.14 47.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.609 -0.682 . . . . 0.0 109.427 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.12 142.18 47.7 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.316 -0.865 . . . . 0.0 108.917 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -93.27 149.51 21.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.102 -0.999 . . . . 0.0 109.219 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -54.77 -38.67 67.51 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.755 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.429 ' HG ' ' H ' ' A' ' 31' ' ' GLU . 95.7 p -61.8 -45.16 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 110.547 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' H ' ' HG ' ' A' ' 30' ' ' SER . 21.3 mm-40 -80.33 -36.71 33.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.933 -1.104 . . . . 0.0 108.678 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.71 -43.2 94.21 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.76 -55.66 21.21 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.705 -1.247 . . . . 0.0 108.757 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.91 -35.53 10.71 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.464 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.19 -38.86 86.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.963 -1.086 . . . . 0.0 109.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -59.85 -33.94 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.661 -1.274 . . . . 0.0 109.601 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.79 -55.68 15.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.409 -0.807 . . . . 0.0 111.993 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.82 5.52 18.49 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.046 -1.034 . . . . 0.0 111.867 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.49 -26.84 4.51 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.988 -1.07 . . . . 0.0 110.709 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.53 23.57 11.43 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.01 -28.08 63.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 109.565 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -73.88 -49.72 23.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.21 -18.67 64.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.93 . . . . 0.0 109.401 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -48.27 -51.55 25.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 110.294 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.43 -29.88 64.53 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.193 -0.942 . . . . 0.0 109.697 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.84 59.83 3.76 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.273 -0.892 . . . . 0.0 110.726 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 47' ' ' ILE . 88.0 mt -124.17 115.09 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.377 -0.827 . . . . 0.0 108.796 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.67 -47.65 6.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.045 -1.034 . . . . 0.0 109.098 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.78 106.87 17.99 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.347 -0.845 . . . . 0.0 109.265 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.23 -23.5 35.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.01 -22.81 59.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.34 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -75.57 -50.24 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 120.62 -1.3 . . . . 0.0 107.946 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.33 -33.32 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.946 -1.096 . . . . 0.0 108.853 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.14 -44.34 95.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.623 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.0 -26.55 65.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.841 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.21 -55.76 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.75 -1.219 . . . . 0.0 108.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.74 -25.15 17.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.375 -0.828 . . . . 0.0 110.293 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.82 -34.13 21.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.8 -1.188 . . . . 0.0 109.23 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.0 p -67.84 -48.5 66.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.797 -1.189 . . . . 0.0 107.926 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.3 mt -60.13 -57.67 11.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.645 -1.284 . . . . 0.0 108.474 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.61 -23.98 2.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.018 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -101.07 41.17 1.2 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.308 1.052 . . . . 0.0 108.847 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 65' ' ' ASP . 47.5 t0 -43.98 -41.21 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.142 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 -8.32 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.816 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' A' ' 63' ' ' ASP . 91.6 m-20 -108.56 -8.7 15.45 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-N 119.216 1.508 . . . . 0.0 112.471 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.42 -28.63 2.66 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 119.733 -1.854 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.24 132.89 15.83 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.914 -1.345 . . . . 0.0 110.53 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.2 127.34 51.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.279 -0.888 . . . . 0.0 109.045 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 44.5 t0 -84.58 -174.5 5.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.219 -0.925 . . . . 0.0 109.893 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.48 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 23.6 t80 -74.52 -32.56 62.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.352 -0.842 . . . . 0.0 109.068 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -56.98 -37.65 71.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.905 -1.122 . . . . 0.0 108.733 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.48 -24.89 61.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.491 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 47.8 t80 -76.6 -39.52 52.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.099 -1.0 . . . . 0.0 109.134 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.74 -33.53 72.58 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.492 -1.38 . . . . 0.0 109.006 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.16 4.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.208 -1.558 . . . . 0.0 110.368 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.07 -33.92 65.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.687 -1.258 . . . . 0.0 109.158 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.491 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 23.7 t -64.66 -35.26 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 108.811 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.6 p -68.16 -52.38 35.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 0.0 109.461 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.14 -41.54 49.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 0.0 110.324 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.41 -50.58 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.3 m -57.15 -43.9 82.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.417 -0.802 . . . . 0.0 109.786 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.476 ' HG1' ' H ' ' A' ' 83' ' ' ALA . 11.1 p -59.88 -49.82 76.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.543 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' H ' ' HG1' ' A' ' 82' ' ' THR . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.881 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.431 ' OG ' ' OE2' ' B' ' 4' ' ' GLU . 54.2 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.32 -33.46 67.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.183 -0.948 . . . . 0.0 109.432 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.44 -49.89 71.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.814 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.431 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 0.6 OUTLIER -52.86 -48.16 67.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.838 -1.164 . . . . 0.0 109.076 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.66 -43.18 46.86 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.701 0.762 . . . . 0.0 109.715 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.17 -31.07 49.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.662 -0.649 . . . . 0.0 110.52 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.36 -47.73 82.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.689 -1.257 . . . . 0.0 107.839 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.8 -37.2 77.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.507 -0.745 . . . . 0.0 109.123 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.03 79.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 108.694 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.3 -47.23 25.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 0.0 108.86 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.71 -43.33 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.88 -50.49 34.68 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.569 0.699 . . . . 0.0 110.055 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.64 -33.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.594 -0.692 . . . . 0.0 111.09 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.54 -34.54 75.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.258 -1.526 . . . . 0.0 108.824 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.12 -32.43 33.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 110.073 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -54.06 -45.87 71.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.761 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.43 -47.88 53.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -100.0 60.97 1.09 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.416 -0.803 . . . . 0.0 110.065 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.02 -13.02 5.6 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -66.13 -29.62 69.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.385 -1.067 . . . . 0.0 108.961 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 23' ' ' ASP . 15.6 pt-20 -147.56 -45.74 0.17 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.607 -1.308 . . . . 0.0 109.513 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.51 18.0 0.1 OUTLIER Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.9 m-20 -48.24 -53.88 15.53 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.157 -1.202 . . . . 0.0 108.296 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.67 -179.97 5.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.87 45.58 2.72 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -137.46 150.15 47.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.631 . . . . 0.0 109.429 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.16 142.18 47.72 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.365 -0.835 . . . . 0.0 108.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -93.21 149.49 21.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.129 -0.982 . . . . 0.0 109.275 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -54.76 -38.71 67.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.083 -1.01 . . . . 0.0 109.733 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.442 ' HG ' ' H ' ' B' ' 31' ' ' GLU . 95.9 p -61.84 -45.06 95.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 110.565 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.442 ' H ' ' HG ' ' B' ' 30' ' ' SER . 21.2 mm-40 -80.37 -36.67 33.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.006 -1.059 . . . . 0.0 108.657 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.79 -43.15 94.56 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.402 ' CB ' ' HZ1' ' B' ' 33' ' ' LYS . 6.9 ttpm? -52.7 -55.74 20.5 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.746 -1.222 . . . . 0.0 108.78 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.89 -35.55 10.66 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.488 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.13 -38.9 86.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.925 -1.109 . . . . 0.0 109.878 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -59.83 -33.89 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.685 -1.259 . . . . 0.0 109.628 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -55.69 15.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.964 -177.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.76 5.5 18.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.032 -1.042 . . . . 0.0 111.87 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.51 -26.91 4.49 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.955 -1.091 . . . . 0.0 110.704 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.51 23.64 11.39 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.238 -0.914 . . . . 0.0 109.225 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -27.99 63.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 0.0 109.582 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -73.88 -49.77 23.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.506 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -64.12 -18.67 64.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.32 -51.55 25.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.796 . . . . 0.0 110.275 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.39 -29.92 64.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.231 -0.918 . . . . 0.0 109.723 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.82 59.82 3.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 110.776 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.14 115.05 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.359 -0.838 . . . . 0.0 108.861 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.59 -47.63 7.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.976 -1.077 . . . . 0.0 109.156 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.81 106.87 18.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.361 -0.837 . . . . 0.0 109.247 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.22 -23.47 35.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.663 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.06 -22.78 59.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.363 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -75.59 -50.28 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.671 -1.268 . . . . 0.0 107.959 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.3 -33.29 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.976 -1.078 . . . . 0.0 108.893 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -60.1 -44.29 94.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.697 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.06 -26.52 65.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 109.824 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.24 -55.75 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.718 -1.239 . . . . 0.0 108.405 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.75 -25.12 17.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.84 -34.1 21.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.765 -1.21 . . . . 0.0 109.289 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -67.82 -48.59 65.81 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.76 -1.212 . . . . 0.0 107.939 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.1 -57.64 11.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.689 -1.257 . . . . 0.0 108.483 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.6 -23.95 2.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.116 -0.99 . . . . 0.0 108.979 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.97 41.1 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.314 1.054 . . . . 0.0 109.156 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.624 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.7 t0 -44.06 -41.11 5.28 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.7 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.06 -8.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.911 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.624 ' H ' ' C ' ' B' ' 63' ' ' ASP . 91.5 m-20 -108.45 -8.69 15.52 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 119.11 1.455 . . . . 0.0 112.626 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.45 -28.81 2.64 Favored Glycine 0 N--CA 1.492 2.421 0 O-C-N 119.66 -1.9 . . . . 0.0 110.355 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.14 132.84 15.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.91 -1.347 . . . . 0.0 110.479 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.22 127.4 51.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.234 -0.916 . . . . 0.0 109.074 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 44.4 t0 -84.56 -174.49 5.3 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.191 -0.943 . . . . 0.0 109.857 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.477 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 23.4 t80 -74.56 -32.57 62.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.0 109.072 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -56.95 -37.67 71.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.006 -1.058 . . . . 0.0 108.787 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.4 -25.05 61.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.495 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 47.6 t80 -76.57 -39.45 52.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 109.148 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.539 -1.351 . . . . 0.0 109.027 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.85 -56.18 4.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.18 -1.575 . . . . 0.0 110.363 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -55.98 -33.99 65.32 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 109.138 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.495 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 23.5 t -64.63 -35.28 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 108.75 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.8 p -68.14 -52.44 34.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.0 109.455 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.1 -41.55 48.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.0 110.321 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -73.47 -50.5 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.682 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 35.8 m -57.18 -43.89 83.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 0.0 109.735 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' B' ' 83' ' ' ALA . 10.9 p -59.83 -49.9 75.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.152 -0.967 . . . . 0.0 109.525 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.472 ' H ' ' HG1' ' B' ' 82' ' ' THR . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.878 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.446 HE21 ' CG ' ' A' ' 54' ' ' ASP . 45.7 tp60 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' CG ' HE21 ' A' ' 50' ' ' GLN . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 59' ' ' THR . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.616 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.616 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.462 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.444 HE21 ' CG ' ' B' ' 54' ' ' ASP . 45.8 tp60 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.444 ' CG ' HE21 ' B' ' 50' ' ' GLN . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' B' ' 59' ' ' THR . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.467 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.667 ' H2 ' ' CE1' ' B' ' 42' ' ' HIS . 19.7 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.43 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 8.9 p -62.72 167.53 4.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.25 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.7 -34.24 62.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 0.0 109.477 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.1 -48.51 78.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.739 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -51.58 -47.02 63.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.961 -1.087 . . . . 0.0 109.067 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.16 -43.35 41.79 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.802 0.81 . . . . 0.0 109.433 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.12 -31.05 49.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.828 -0.545 . . . . 0.0 110.385 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 tpt -61.18 -47.62 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.716 -1.24 . . . . 0.0 108.262 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.97 -35.6 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.356 -0.84 . . . . 0.0 109.041 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.52 -47.11 82.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.879 . . . . 0.0 108.94 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.14 -47.84 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.982 . . . . 0.0 108.642 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.85 -44.35 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.74 -50.19 45.24 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.405 0.621 . . . . 0.0 110.192 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.64 -35.67 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.448 -0.783 . . . . 0.0 111.177 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.86 -33.9 76.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.245 -1.534 . . . . 0.0 108.645 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -77.36 -33.09 55.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.639 -0.663 . . . . 0.0 110.047 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.43 -44.54 72.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 109.961 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.43 -44.17 65.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.979 -1.076 . . . . 0.0 109.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.6 61.0 1.34 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.303 -0.873 . . . . 0.0 110.253 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.57 -10.37 9.45 Favored Glycine 0 N--CA 1.502 3.081 0 N-CA-C 107.69 -2.164 . . . . 0.0 107.69 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -65.32 -32.76 74.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.573 -0.957 . . . . 0.0 109.363 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 23' ' ' ASP . 23.4 mt-10 -146.49 -45.19 0.19 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.604 -1.31 . . . . 0.0 110.184 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.18 11.0 0.19 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' A' ' 21' ' ' GLU . 4.2 m-20 -49.17 -57.18 7.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.067 -1.255 . . . . 0.0 108.545 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.38 -178.23 5.3 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -130.31 46.55 2.64 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.54 149.72 52.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.834 -0.541 . . . . 0.0 109.659 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -123.64 140.0 53.43 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.39 153.92 20.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.971 -1.08 . . . . 0.0 109.658 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 30' ' ' SER . 37.6 pttt -62.7 -42.38 99.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.125 -0.984 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.48 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 23.1 t -55.96 -39.59 71.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.0 110.358 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.13 -33.9 26.18 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.976 -1.078 . . . . 0.0 108.45 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.19 -48.13 83.02 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.17 -55.94 17.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.513 -1.367 . . . . 0.0 108.688 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.46 -35.87 9.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 109.318 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -37.85 89.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.866 -1.146 . . . . 0.0 108.276 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.01 -35.03 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.854 -1.154 . . . . 0.0 109.209 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.95 -24.97 66.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.387 -0.821 . . . . 0.0 111.31 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 40.4 t-20 -118.31 4.4 11.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.228 -0.92 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -123.95 -27.02 3.97 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.188 -0.945 . . . . 0.0 110.525 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.58 13.47 14.32 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.346 -0.846 . . . . 0.0 109.168 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.33 -25.98 61.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.662 ' CE1' ' H2 ' ' B' ' 0' ' ' MET . 67.6 m80 -74.2 -50.1 20.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 110.249 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.32 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 109.979 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -48.48 -28.37 3.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.279 -0.888 . . . . 0.0 109.966 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -74.56 -38.26 62.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.931 -1.105 . . . . 0.0 110.027 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 40.3 mt-10 -90.48 55.59 3.07 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.219 -0.926 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 48' ' ' LYS . 52.7 mt -128.8 162.98 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 74.8 tttt -143.05 -46.26 0.3 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.803 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.68 60.23 0.34 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.023 -1.048 . . . . 0.0 109.171 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.8 mm100 -44.82 -27.88 0.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.21 -23.33 61.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.34 -48.05 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.67 -35.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 120.896 -1.127 . . . . 0.0 108.945 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.84 -44.54 82.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 59' ' ' THR . 92.5 mttt -70.88 -26.47 63.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.199 -0.938 . . . . 0.0 109.748 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.7 -57.55 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 120.677 -1.264 . . . . 0.0 108.207 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.58 -27.05 15.21 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.303 -0.873 . . . . 0.0 109.758 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.25 -32.8 22.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.947 -1.096 . . . . 0.0 108.634 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 4.0 m -69.09 -45.14 71.02 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.86 -58.65 7.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.561 -1.337 . . . . 0.0 108.184 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.93 -23.46 5.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 0.0 109.326 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -101.91 39.92 1.4 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.217 1.008 . . . . 0.0 109.423 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.609 ' C ' ' H ' ' A' ' 65' ' ' ASP . 15.5 t0 -44.79 -39.19 5.05 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.626 0.727 . . . . 0.0 109.978 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 -7.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.576 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.609 ' H ' ' C ' ' A' ' 63' ' ' ASP . 14.3 t70 -107.56 -8.41 16.2 Favored 'General case' 0 N--CA 1.512 2.663 0 CA-C-N 119.081 1.44 . . . . 0.0 112.303 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 -28.48 2.55 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 119.714 -1.867 . . . . 0.0 110.449 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -151.3 133.48 15.25 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.898 -1.354 . . . . 0.0 110.226 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.3 m -104.77 126.87 52.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.287 -0.883 . . . . 0.0 109.037 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.37 5.09 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.57 -32.66 64.27 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.82 -36.61 77.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 108.914 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.58 -26.31 61.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -0.955 . . . . 0.0 109.787 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -75.68 -39.47 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.282 -0.886 . . . . 0.0 109.193 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.84 -28.65 67.74 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.425 -1.422 . . . . 0.0 108.634 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.91 -54.83 6.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.251 -1.531 . . . . 0.0 110.232 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -56.95 -32.99 66.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.609 -1.307 . . . . 0.0 109.385 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 49.5 t -68.66 -34.76 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.6 p -70.29 -52.98 18.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 109.844 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' ALA . 13.8 mtt -51.46 -50.99 58.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.022 -1.049 . . . . 0.0 109.805 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.6 t -59.62 -42.4 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -69.61 -47.97 61.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.983 . . . . 0.0 108.888 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -72.82 -17.03 61.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 109.832 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -51.41 -40.79 60.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.02 . . . . 0.0 108.799 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 41.7 t -73.42 84.96 1.48 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.77 135.75 3.8 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 110.385 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 57.22 60.21 3.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CE2' ' CZ ' ' A' ' 88' ' ' PHE . 2.9 p90 -69.02 -25.96 64.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.17 -0.956 . . . . 0.0 108.84 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' CE2' ' A' ' 87' ' ' PHE . 56.1 m-85 -52.85 -34.58 54.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 0.0 109.257 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.19 63.58 0.72 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.87 . . . . 0.0 109.28 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.606 ' HD1' ' N ' ' A' ' 91' ' ' GLU . 1.7 t-80 -74.8 117.74 16.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.334 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.606 ' N ' ' HD1' ' A' ' 90' ' ' HIS . 7.1 tp10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.429 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.662 ' H2 ' ' CE1' ' A' ' 42' ' ' HIS . 19.7 ttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' B' ' 4' ' ' GLU . 8.8 p -62.69 167.47 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.0 109.228 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.47 ' N ' ' OE1' ' B' ' 2' ' ' GLU . 0.7 OUTLIER -54.66 -34.24 61.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.1 -48.46 78.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 0.0 109.742 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.418 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -51.64 -47.01 63.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.986 -1.071 . . . . 0.0 109.031 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.05 -43.46 40.85 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.829 0.823 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.09 50.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.801 -0.562 . . . . 0.0 110.403 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 tpt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.735 -1.228 . . . . 0.0 108.19 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.96 -35.52 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.398 -0.814 . . . . 0.0 109.061 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.13 82.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 108.92 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.07 -47.88 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -44.38 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.73 -50.25 44.85 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.59 -35.6 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 111.212 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.9 -33.95 76.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.237 -1.539 . . . . 0.0 108.58 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -77.36 -33.04 55.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.605 -0.684 . . . . 0.0 110.085 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.54 72.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 109.966 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.44 -44.18 65.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.088 . . . . 0.0 109.202 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.57 60.98 1.34 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.335 -0.853 . . . . 0.0 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.62 -10.31 9.46 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 107.708 -2.157 . . . . 0.0 107.708 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -65.4 -32.72 74.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.561 -0.964 . . . . 0.0 109.362 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' B' ' 23' ' ' ASP . 23.3 mt-10 -146.46 -45.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.611 -1.306 . . . . 0.0 110.229 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.23 10.92 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 21' ' ' GLU . 4.2 m-20 -49.12 -57.27 6.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.052 -1.263 . . . . 0.0 108.469 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.34 -178.19 5.3 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -130.34 46.53 2.64 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.6 149.7 52.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.525 . . . . 0.0 109.683 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 tp -123.6 140.0 53.44 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.44 153.95 20.76 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.944 -1.097 . . . . 0.0 109.62 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' B' ' 30' ' ' SER . 37.5 pttt -62.67 -42.44 99.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.097 -1.002 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 23.0 t -55.99 -39.58 72.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.361 -0.837 . . . . 0.0 110.317 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -83.18 -33.82 26.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.013 -1.054 . . . . 0.0 108.445 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.24 -48.16 82.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.15 -55.84 18.39 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.524 -1.36 . . . . 0.0 108.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.61 -35.8 9.82 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 109.279 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.95 -37.87 89.08 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.902 -1.124 . . . . 0.0 108.32 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 mt -63.98 -35.0 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.864 -1.148 . . . . 0.0 109.251 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.96 -24.99 66.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.781 . . . . 0.0 111.322 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 40.2 t-20 -118.26 4.43 11.91 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.205 -0.935 . . . . 0.0 110.552 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -124.0 -27.01 3.95 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.192 -0.942 . . . . 0.0 110.492 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.58 13.5 14.33 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.361 -0.837 . . . . 0.0 109.147 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.43 -25.93 61.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 110.176 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.667 ' CE1' ' H2 ' ' A' ' 0' ' ' MET . 67.5 m80 -74.16 -50.15 20.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.096 -1.003 . . . . 0.0 110.268 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -66.25 -19.92 65.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.965 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -48.44 -28.38 3.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 0.0 109.994 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -74.51 -38.23 62.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.915 -1.116 . . . . 0.0 110.11 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.476 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 40.4 mt-10 -90.57 55.68 3.07 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.188 -0.945 . . . . 0.0 110.822 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' B' ' 48' ' ' LYS . 52.1 mt -128.91 162.94 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' B' ' 47' ' ' ILE . 74.8 tttt -143.01 -46.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.2 -0.938 . . . . 0.0 109.814 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.75 60.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.0 -1.062 . . . . 0.0 109.141 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' B' ' 48' ' ' LYS . 20.8 mm100 -44.87 -27.88 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.367 -0.833 . . . . 0.0 110.506 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.19 -23.39 61.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.089 -1.007 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -73.32 -48.0 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 107.574 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.66 -35.82 74.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.996 -1.065 . . . . 0.0 108.91 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.82 -44.5 82.08 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.502 -0.749 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' B' ' 59' ' ' THR . 92.5 mttt -70.96 -26.39 63.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.19 -0.944 . . . . 0.0 109.746 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.74 -57.53 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.663 -1.273 . . . . 0.0 108.184 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.62 -27.01 15.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.732 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.34 -32.84 22.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.919 -1.113 . . . . 0.0 108.57 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 4.0 m -69.02 -45.16 71.21 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.86 -58.64 7.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.564 -1.335 . . . . 0.0 108.201 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.84 -23.48 4.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.35 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -101.95 40.03 1.39 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.28 1.038 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.621 ' C ' ' H ' ' B' ' 65' ' ' ASP . 15.2 t0 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.275 -2.641 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.491 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.81 -7.79 0.01 OUTLIER Glycine 0 N--CA 1.49 2.266 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.684 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.621 ' H ' ' C ' ' B' ' 63' ' ' ASP . 14.3 t70 -107.58 -8.35 16.2 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.794 -1.415 . . . . 0.0 112.368 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.11 -28.58 2.56 Favored Glycine 0 N--CA 1.492 2.394 0 O-C-N 119.664 -1.898 . . . . 0.0 110.395 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -151.28 133.43 15.24 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.908 -1.348 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 80.4 m -104.74 126.86 52.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.295 -0.878 . . . . 0.0 109.01 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.44 5.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.18 -0.95 . . . . 0.0 110.139 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.51 -32.7 64.39 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.78 -36.69 77.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.866 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.56 -26.34 61.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.757 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -75.6 -39.57 57.78 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.311 -0.868 . . . . 0.0 109.195 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.83 -28.68 67.78 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.399 -1.438 . . . . 0.0 108.618 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.83 -54.86 6.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.351 -1.468 . . . . 0.0 110.28 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -56.92 -32.99 66.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.504 -1.373 . . . . 0.0 109.362 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 49.2 t -68.68 -34.8 66.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.264 -0.897 . . . . 0.0 109.055 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.6 p -70.25 -53.01 18.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.896 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.534 ' O ' ' N ' ' B' ' 83' ' ' ALA . 13.9 mtt -51.36 -51.1 57.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.003 -1.061 . . . . 0.0 109.789 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.58 -42.38 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 109.542 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -48.0 61.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 108.859 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -72.87 -16.98 61.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.811 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -51.46 -40.72 60.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.035 . . . . 0.0 108.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.476 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 41.8 t -73.4 84.93 1.47 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 135.76 3.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.475 -0.765 . . . . 0.0 110.401 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 57.19 60.23 3.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.447 -0.783 . . . . 0.0 109.974 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.572 ' CE2' ' CZ ' ' B' ' 88' ' ' PHE . 2.9 p90 -69.03 -25.98 64.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.09 -1.006 . . . . 0.0 108.762 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' CE2' ' B' ' 87' ' ' PHE . 55.8 m-85 -52.8 -34.66 54.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 109.232 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -73.04 63.46 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.606 ' HD1' ' N ' ' B' ' 91' ' ' GLU . 1.7 t-80 -74.73 117.64 16.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.606 ' N ' ' HD1' ' B' ' 90' ' ' HIS . 7.1 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.432 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p -62.28 172.6 1.42 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.069 -1.019 . . . . 0.0 109.102 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.446 HE21 ' CG ' ' A' ' 54' ' ' ASP . 45.7 tp60 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' CG ' HE21 ' A' ' 50' ' ' GLN . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 59' ' ' THR . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.616 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.616 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.462 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.1 -26.4 37.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' ND1' ' A' ' 85' ' ' HIS . 42.7 t -75.0 151.87 38.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.043 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' ND1' ' SG ' ' A' ' 84' ' ' CYS . 34.8 p-80 -49.86 177.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.23 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.296 -0.877 . . . . 0.0 109.787 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 20.0 p90 -61.51 -24.45 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.696 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 54.4 m-85 -50.77 -38.92 50.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.094 -1.004 . . . . 0.0 109.013 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' A' ' 91' ' ' GLU . 5.1 mp0 -84.98 67.31 10.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.81 . . . . 0.0 109.1 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.18 35.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p -62.34 172.56 1.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.045 -1.034 . . . . 0.0 109.018 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.485 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.444 HE21 ' CG ' ' B' ' 54' ' ' ASP . 45.8 tp60 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.444 ' CG ' HE21 ' B' ' 50' ' ' GLN . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' B' ' 59' ' ' THR . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.467 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.14 -26.34 37.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.504 ' SG ' ' ND1' ' B' ' 85' ' ' HIS . 42.5 t -75.15 151.89 38.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.333 -0.855 . . . . 0.0 108.996 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' ND1' ' SG ' ' B' ' 84' ' ' CYS . 34.9 p-80 -49.9 177.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.113 -0.992 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.24 100.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.234 -0.916 . . . . 0.0 109.802 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 20.2 p90 -61.5 -24.42 66.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 54.2 m-85 -50.81 -38.85 50.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.104 -0.997 . . . . 0.0 109.03 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.474 ' C ' ' H ' ' B' ' 91' ' ' GLU . 5.1 mp0 -85.04 67.32 10.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.431 -0.793 . . . . 0.0 109.087 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -75.19 35.38 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' B' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.401 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.5 p -84.08 174.27 10.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.328 -0.857 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -62.15 -33.47 74.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.965 . . . . 0.0 109.429 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.26 -53.23 56.21 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 109.708 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.08 -47.82 65.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.657 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.88 -40.25 42.18 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.795 0.807 . . . . 0.0 109.55 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.13 -27.91 54.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.873 -0.517 . . . . 0.0 110.884 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.66 -46.15 89.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.725 -1.234 . . . . 0.0 108.556 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.74 -35.46 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.497 -0.752 . . . . 0.0 110.003 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.57 77.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.52 -57.74 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.009 0.909 . . . . 0.0 110.133 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.77 -40.05 41.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.544 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.74 -37.67 76.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.927 -1.108 . . . . 0.0 109.906 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.91 -41.38 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.693 -1.254 . . . . 0.0 108.544 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.78 -34.56 74.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.832 -1.168 . . . . 0.0 108.407 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -76.52 -31.58 57.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.785 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.17 -43.4 67.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.78 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.24 -44.62 64.96 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.077 -1.014 . . . . 0.0 109.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -97.35 58.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.327 -0.858 . . . . 0.0 110.149 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.79 -15.09 6.42 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.059 -2.016 . . . . 0.0 108.059 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -63.28 -32.29 73.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.48 -1.012 . . . . 0.0 109.041 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 51.3 mt-10 -147.29 -44.91 0.17 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.679 -1.263 . . . . 0.0 109.018 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.93 17.39 0.09 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 77.5 m-20 -48.22 -57.21 6.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -1.109 . . . . 0.0 108.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 24' ' ' LYS . 9.9 mptt -92.09 176.57 6.45 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 39.3 p-80 -125.41 50.31 1.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -131.52 146.18 52.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.846 -0.534 . . . . 0.0 109.605 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 68' ' ' CYS . 16.1 tp -122.79 144.31 49.27 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -94.14 152.19 18.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.104 -0.997 . . . . 0.0 110.009 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.507 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.4 -38.79 74.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 110.219 179.391 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.423 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 p -60.19 -40.72 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -79.0 -33.61 44.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 0.0 108.738 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.52 -58.28 7.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.671 -1.268 . . . . 0.0 108.744 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.66 -38.47 55.04 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.95 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.48 -37.87 80.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.123 -0.986 . . . . 0.0 109.612 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.74 -33.87 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 108.638 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.56 -55.77 18.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.542 -0.724 . . . . 0.0 111.678 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.74 5.99 12.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.926 -1.108 . . . . 0.0 111.639 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -122.41 -26.8 4.55 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.992 -1.067 . . . . 0.0 110.412 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.53 24.32 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.124 -0.985 . . . . 0.0 109.875 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.0 -26.18 61.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.181 -0.95 . . . . 0.0 109.808 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -73.17 -50.86 20.24 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.973 -1.08 . . . . 0.0 109.745 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.67 -17.17 60.05 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.29 -0.881 . . . . 0.0 109.346 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -35.04 21.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.766 . . . . 0.0 109.793 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.46 -38.0 68.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.866 -1.146 . . . . 0.0 109.956 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' A' ' 90' ' ' HIS . 86.2 mt-10 -85.56 59.25 5.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.84 109.39 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.28 -0.887 . . . . 0.0 109.288 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.25 -44.98 9.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.164 -0.96 . . . . 0.0 109.233 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 37.8 mp0 -86.41 103.64 15.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.332 -0.855 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.66 -24.1 39.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 0.0 109.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -74.32 -22.94 59.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.826 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.64 -47.84 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.43 . . . . 0.0 107.727 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -63.29 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.939 -1.101 . . . . 0.0 108.931 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.55 -46.05 90.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.382 -0.824 . . . . 0.0 109.536 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 59' ' ' THR . 69.8 mmtt -69.49 -26.74 64.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.453 -0.78 . . . . 0.0 109.889 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.48 -56.91 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 108.428 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.43 -26.17 40.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 110.343 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.82 -35.07 20.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.882 -1.136 . . . . 0.0 109.32 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.8 m -68.64 -43.78 75.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.685 -1.259 . . . . 0.0 108.271 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.76 -56.99 14.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.792 -1.192 . . . . 0.0 108.264 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.79 -20.78 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 0.0 109.053 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.3 41.62 1.21 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 122.14 0.971 . . . . 0.0 109.356 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.616 ' C ' ' H ' ' A' ' 65' ' ' ASP . 32.1 t0 -43.38 -32.31 0.82 Allowed 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.83 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.0 -10.4 0.01 OUTLIER Glycine 0 N--CA 1.498 2.786 0 O-C-N 122.01 -0.431 . . . . 0.0 112.5 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.616 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.9 p30 -108.75 -31.7 7.61 Favored 'General case' 0 N--CA 1.515 2.824 0 CA-C-N 119.434 1.617 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.86 23.23 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 119.792 -1.818 . . . . 0.0 109.65 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 46.5 mt-10 -147.37 131.26 17.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.124 -1.221 . . . . 0.0 109.509 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 27' ' ' LEU . 3.6 m -105.0 126.88 52.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.191 -0.943 . . . . 0.0 109.192 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.65 -174.36 5.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.907 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.52 -32.6 62.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 108.782 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.75 -37.75 74.18 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.963 -1.086 . . . . 0.0 109.02 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.62 61.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.012 -1.055 . . . . 0.0 109.58 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -72.93 -40.58 65.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.059 -1.026 . . . . 0.0 109.056 178.289 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.59 -53.92 16.54 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.198 -1.564 . . . . 0.0 109.435 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.95 -50.17 67.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.173 -1.579 . . . . 0.0 111.218 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.65 -34.37 78.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.659 -1.276 . . . . 0.0 109.839 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.7 t -67.15 -35.99 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.131 -0.981 . . . . 0.0 108.858 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 p -65.5 -50.42 65.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.099 -1.001 . . . . 0.0 109.286 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.6 mtp -50.82 -38.43 48.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.341 -0.849 . . . . 0.0 110.562 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.0 t -72.19 -39.06 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.99 -1.069 . . . . 0.0 109.783 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.65 -45.68 74.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.047 . . . . 0.0 108.588 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.96 -18.06 61.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.474 -0.766 . . . . 0.0 109.729 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.12 -31.19 40.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.205 -0.934 . . . . 0.0 109.049 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.51 ' HG ' ' HD1' ' A' ' 85' ' ' HIS . 20.6 t -72.88 149.82 43.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.46 -0.775 . . . . 0.0 109.146 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' HD1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -49.02 175.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -43.89 101.51 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.898 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 33.7 p90 -66.38 -24.47 66.49 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.13 -0.982 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 49.8 m-85 -51.24 -42.15 60.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 0.0 108.711 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . 45.3 tt0 -94.04 49.22 1.3 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 56.8 t-80 -59.09 81.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.435 -0.791 . . . . 0.0 109.449 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' GLU . 64.2 mm-40 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.403 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 77.2 mtp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.4 p -84.14 174.33 10.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.316 -0.865 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -62.17 -33.51 74.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.385 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.25 -53.21 56.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 109.735 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.09 -47.83 65.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.01 -1.056 . . . . 0.0 109.599 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.82 -40.31 41.54 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.807 0.813 . . . . 0.0 109.577 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.08 -27.93 54.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.885 -0.509 . . . . 0.0 110.867 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.61 -46.22 89.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.739 -1.226 . . . . 0.0 108.59 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.69 -35.41 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.468 -0.77 . . . . 0.0 110.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.56 77.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.088 -1.007 . . . . 0.0 109.591 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.5 -57.72 8.27 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.094 0.949 . . . . 0.0 110.137 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt -53.81 -40.1 42.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.73 -37.65 76.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.912 -1.118 . . . . 0.0 109.915 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.9 -41.43 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.748 -1.22 . . . . 0.0 108.508 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -60.78 -34.61 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.796 -1.19 . . . . 0.0 108.371 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.48 -31.6 57.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.804 . . . . 0.0 109.981 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.26 -43.3 67.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.524 -0.735 . . . . 0.0 109.772 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -71.2 -44.74 64.81 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.05 -1.031 . . . . 0.0 109.133 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -97.3 58.51 1.52 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 110.171 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -15.01 6.41 Favored Glycine 0 N--CA 1.503 3.158 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -63.34 -32.21 73.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -1.068 . . . . 0.0 109.059 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 51.3 mt-10 -147.38 -44.82 0.17 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.739 -1.225 . . . . 0.0 108.994 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 44.87 17.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 77.6 m-20 -48.18 -57.29 6.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -1.106 . . . . 0.0 108.139 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' B' ' 24' ' ' LYS . 9.9 mptt -92.06 176.52 6.47 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 39.4 p-80 -125.39 50.4 1.8 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -131.62 146.2 52.08 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' B' ' 68' ' ' CYS . 16.2 tp -122.84 144.22 49.34 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -94.05 152.17 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.496 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.3 -38.89 74.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.252 179.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.427 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 p -60.12 -40.76 90.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.81 . . . . 0.0 110.993 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.92 -33.68 45.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 108.738 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.34 -42.73 99.17 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.58 -58.25 7.85 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.671 -1.268 . . . . 0.0 108.745 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.73 -38.37 54.99 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.998 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.5 -37.84 80.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.091 -1.006 . . . . 0.0 109.674 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.7 -33.93 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.618 -1.301 . . . . 0.0 108.651 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.57 -55.77 18.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.55 -0.719 . . . . 0.0 111.678 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.69 5.99 11.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.985 -1.072 . . . . 0.0 111.692 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -122.46 -26.81 4.53 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.026 -1.046 . . . . 0.0 110.371 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -121.49 24.36 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.136 -0.978 . . . . 0.0 109.896 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.04 -26.18 61.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.202 -0.936 . . . . 0.0 109.81 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -73.13 -50.88 20.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.022 -1.049 . . . . 0.0 109.746 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.73 -17.06 60.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.298 -0.876 . . . . 0.0 109.382 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.81 -35.11 21.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.749 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.37 -37.97 68.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.844 -1.16 . . . . 0.0 110.03 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.514 ' OE2' ' NE2' ' B' ' 90' ' ' HIS . 86.2 mt-10 -85.54 59.21 5.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.85 109.3 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.2 -45.06 9.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -0.982 . . . . 0.0 109.176 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 37.9 mp0 -86.31 103.69 15.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.288 -0.883 . . . . 0.0 109.229 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.72 -24.17 38.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.942 -1.099 . . . . 0.0 109.518 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -74.31 -22.93 59.04 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 110.769 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -72.66 -47.77 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.421 -1.425 . . . . 0.0 107.821 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.4 t -63.3 -32.76 57.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.005 -1.06 . . . . 0.0 108.916 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.6 -45.96 90.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.349 -0.845 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.441 ' O ' ' OG1' ' B' ' 59' ' ' THR . 69.8 mmtt -69.56 -26.71 64.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 109.861 -179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 91.2 t -66.52 -56.89 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.735 -1.228 . . . . 0.0 108.434 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.45 -26.19 40.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.792 . . . . 0.0 110.315 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.79 -35.13 20.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.896 -1.128 . . . . 0.0 109.281 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 2.8 m -68.61 -43.76 75.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.647 -1.283 . . . . 0.0 108.277 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.83 -56.93 15.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.723 -1.236 . . . . 0.0 108.242 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.76 -20.79 1.37 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 0.0 109.015 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -102.34 41.62 1.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 122.235 1.016 . . . . 0.0 109.622 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' B' ' 65' ' ' ASP . 32.3 t0 -43.06 -32.59 0.7 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.455 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -10.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 O-C-N 122.038 -0.413 . . . . 0.0 112.639 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.9 p30 -108.68 -31.79 7.6 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 119.35 1.575 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.67 -25.93 22.79 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.779 -1.825 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.4 mt-10 -147.3 131.25 17.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.109 -1.23 . . . . 0.0 109.45 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' B' ' 27' ' ' LEU . 3.6 m -105.04 126.85 52.52 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.249 -0.907 . . . . 0.0 109.172 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.57 -174.39 5.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.53 -32.55 62.51 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 108.819 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.74 -37.78 74.2 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.923 -1.11 . . . . 0.0 109.025 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.58 61.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.023 -1.048 . . . . 0.0 109.53 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -72.99 -40.63 65.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.018 -1.052 . . . . 0.0 109.047 178.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.54 -53.92 16.64 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.22 -1.55 . . . . 0.0 109.477 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.88 -50.22 66.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.159 -1.588 . . . . 0.0 111.187 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.73 -34.32 77.92 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.631 -1.293 . . . . 0.0 109.821 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 19.7 t -67.16 -35.95 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 0.0 108.908 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 14.1 p -65.53 -50.38 65.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 109.32 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 76.8 mtp -50.85 -38.45 49.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -0.872 . . . . 0.0 110.545 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.06 -39.2 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.953 -1.092 . . . . 0.0 109.791 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.61 -45.71 74.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.949 -1.094 . . . . 0.0 108.598 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.91 -18.0 61.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.537 -0.727 . . . . 0.0 109.777 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.14 -31.17 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 109.064 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.519 ' HG ' ' HD1' ' B' ' 85' ' ' HIS . 20.6 t -72.9 149.75 43.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 0.0 109.17 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.52 ' N ' ' HD1' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -48.89 175.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.156 -0.965 . . . . 0.0 109.155 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -43.87 101.53 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 109.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 33.4 p90 -66.48 -24.39 66.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.187 -0.946 . . . . 0.0 109.219 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 50.0 m-85 -51.24 -42.18 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 0.0 108.678 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 91' ' ' GLU . 45.2 tt0 -94.0 49.18 1.3 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.514 ' NE2' ' OE2' ' B' ' 46' ' ' GLU . 56.9 t-80 -59.1 81.66 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.524 -0.735 . . . . 0.0 109.464 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 89' ' ' GLU . 64.1 mm-40 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.413 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.494 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 5.2 ptt? . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.216 0.531 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p -68.79 169.74 10.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.305 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -57.36 -34.93 69.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.7 -48.46 80.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 109.732 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' OE2' ' N ' ' A' ' 0' ' ' MET . 32.8 mt-10 -49.86 -46.4 51.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.246 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.13 -41.1 35.05 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.879 0.847 . . . . 0.0 109.257 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.42 -32.39 42.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.831 -0.543 . . . . 0.0 110.84 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -46.65 88.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.736 -1.228 . . . . 0.0 108.294 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.578 -0.701 . . . . 0.0 109.549 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -48.59 79.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.282 -0.886 . . . . 0.0 109.292 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.99 -55.56 16.77 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 122.031 0.919 . . . . 0.0 109.932 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -54.74 -41.31 55.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.662 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.03 -36.71 72.47 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.785 -1.197 . . . . 0.0 110.684 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.06 -42.43 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.397 -1.439 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.63 -31.93 62.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.672 -1.268 . . . . 0.0 107.88 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.75 -32.68 52.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.482 -0.761 . . . . 0.0 109.874 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.71 -45.43 70.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.429 -0.794 . . . . 0.0 110.097 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -72.39 -47.18 51.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.0 -1.062 . . . . 0.0 109.492 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.12 59.78 1.17 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 109.92 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.44 -14.11 4.52 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -65.82 -27.49 68.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.273 -1.134 . . . . 0.0 109.004 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.3 tt0 -146.35 -46.12 0.19 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.576 -1.327 . . . . 0.0 109.215 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 19.3 0.13 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.0 t70 -49.3 -55.04 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.077 -1.249 . . . . 0.0 108.174 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.88 163.02 14.54 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.71 45.15 1.26 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.13 152.05 51.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 109.56 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -123.16 140.97 52.47 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -89.4 153.2 21.03 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.961 -1.087 . . . . 0.0 109.545 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -39.62 92.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.1 -1.0 . . . . 0.0 110.066 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.24 -41.11 87.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.423 -0.798 . . . . 0.0 111.184 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.25 -34.7 36.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.008 -1.057 . . . . 0.0 109.1 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.75 -44.27 97.22 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -53.38 -55.51 24.36 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.738 -1.226 . . . . 0.0 109.099 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -47.14 -34.34 6.03 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.709 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.16 -43.83 77.34 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.82 -1.175 . . . . 0.0 109.477 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.03 -38.05 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.728 -1.232 . . . . 0.0 109.373 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.39 -26.77 68.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.44 -0.787 . . . . 0.0 111.253 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -116.06 4.75 13.74 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.23 -0.919 . . . . 0.0 111.09 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.32 -28.55 5.01 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.064 -1.023 . . . . 0.0 110.514 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.03 23.63 11.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.357 -0.839 . . . . 0.0 108.816 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.26 -25.71 63.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.579 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.54 -42.93 61.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.163 -0.961 . . . . 0.0 109.381 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -69.89 -23.44 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.52 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.94 -29.38 3.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 0.0 109.663 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.03 -41.13 64.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.871 -1.143 . . . . 0.0 109.954 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' OE1' ' NE2' ' A' ' 90' ' ' HIS . 25.4 mt-10 -87.23 59.38 5.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.273 -0.892 . . . . 0.0 110.0 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.53 102.04 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.434 -0.791 . . . . 0.0 109.074 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 85' ' ' HIS . 29.9 mmtm -87.08 -40.68 14.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 mp0 -85.62 105.81 16.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.295 -0.878 . . . . 0.0 109.199 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 24.9 mp0 -82.96 -28.43 29.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.106 -0.996 . . . . 0.0 109.561 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.49 -22.2 60.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.434 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.09 -50.35 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.697 -1.252 . . . . 0.0 108.238 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.32 -33.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.885 -1.134 . . . . 0.0 109.018 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.16 -42.76 91.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.19 -26.76 64.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.4 -55.56 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 120.681 -1.262 . . . . 0.0 108.329 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.64 -25.33 17.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -85.66 -34.84 21.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.882 -1.136 . . . . 0.0 109.349 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.15 -48.92 66.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 108.137 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.41 -56.72 18.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.633 -1.292 . . . . 0.0 108.257 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.74 -24.7 6.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.234 -0.917 . . . . 0.0 109.199 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.87 39.75 1.35 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 122.26 1.029 . . . . 0.0 109.18 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.602 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.9 t70 -45.22 -35.32 3.24 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.59 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.95 -8.84 0.01 OUTLIER Glycine 0 N--CA 1.497 2.718 0 CA-C-O 119.759 -0.467 . . . . 0.0 112.649 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 63' ' ' ASP . 2.7 p30 -106.2 -31.47 8.65 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 119.658 1.729 . . . . 0.0 112.324 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 104.39 -26.57 22.36 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 119.898 -1.751 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 49.1 mt-10 -148.83 130.92 15.38 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.058 -1.26 . . . . 0.0 109.781 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.5 125.96 49.39 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.1 -1.0 . . . . 0.0 109.284 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 29.1 t70 -83.93 -174.63 5.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 109.818 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.511 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.1 t80 -76.39 -33.92 58.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 109.232 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.94 -39.25 81.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.914 -1.116 . . . . 0.0 109.063 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.38 -23.21 61.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 23.5 t80 -77.58 -41.38 39.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.736 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.81 -27.2 67.37 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.226 -1.546 . . . . 0.0 108.762 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 -52.47 9.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.31 -1.494 . . . . 0.0 110.246 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 -33.93 71.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.605 -1.309 . . . . 0.0 109.608 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.57 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 45.5 t -63.59 -33.49 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.094 -1.004 . . . . 0.0 108.982 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.578 ' HG ' ' H ' ' A' ' 79' ' ' MET . 52.3 p -70.48 -52.56 21.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 0.0 110.235 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.578 ' H ' ' HG ' ' A' ' 78' ' ' SER . 83.8 mtp -50.35 -38.49 42.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.236 -0.915 . . . . 0.0 110.918 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.51 -49.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.964 -1.085 . . . . 0.0 109.862 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m -60.16 -41.64 93.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.937 -1.102 . . . . 0.0 108.742 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.4 p -73.03 -21.24 60.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.56 -0.713 . . . . 0.0 109.833 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.54 -26.98 56.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.048 -1.032 . . . . 0.0 109.065 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' HIS . 19.1 p -73.55 150.07 41.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.417 -0.802 . . . . 0.0 109.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.637 ' HD1' ' N ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -47.91 174.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.887 . . . . 0.0 109.727 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -47.45 99.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.383 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 30.1 p90 -64.9 -24.55 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 23.9 m-85 -52.88 -42.02 64.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.03 -1.044 . . . . 0.0 108.992 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' GLU . 49.8 mt-10 -103.31 55.27 0.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.743 -0.598 . . . . 0.0 109.539 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.457 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 11.7 t-80 -67.0 67.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.234 -0.916 . . . . 0.0 109.327 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' GLU . 41.8 mm-40 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.463 ' N ' ' OE2' ' B' ' 4' ' ' GLU . 5.2 ptt? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p -68.83 169.74 10.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.259 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -57.32 -34.92 69.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.69 -48.5 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.274 -0.892 . . . . 0.0 109.726 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.463 ' OE2' ' N ' ' B' ' 0' ' ' MET . 32.9 mt-10 -49.84 -46.44 51.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 109.194 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.14 -41.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.854 0.835 . . . . 0.0 109.294 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.48 -32.4 42.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.839 -0.538 . . . . 0.0 110.815 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.654 -1.279 . . . . 0.0 108.306 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.548 -0.72 . . . . 0.0 109.541 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 109.339 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.02 -55.48 17.24 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.025 0.917 . . . . 0.0 109.952 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -54.89 -41.24 56.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.98 -36.86 72.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.849 -1.157 . . . . 0.0 110.697 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.96 -42.45 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.374 -1.454 . . . . 0.0 108.936 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.61 -31.85 62.6 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.715 -1.241 . . . . 0.0 107.953 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.82 -32.66 52.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.541 -0.724 . . . . 0.0 109.896 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -53.69 -45.43 70.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.461 -0.774 . . . . 0.0 110.144 -178.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -72.33 -47.25 51.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.988 -1.07 . . . . 0.0 109.47 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.1 59.83 1.17 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.345 -0.847 . . . . 0.0 109.843 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.45 -14.1 4.52 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -65.77 -27.56 68.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -1.173 . . . . 0.0 109.018 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.3 tt0 -146.27 -46.15 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.604 -1.31 . . . . 0.0 109.213 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.28 19.35 0.13 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 21' ' ' GLU . 14.9 t70 -49.33 -55.06 14.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.991 -1.299 . . . . 0.0 108.13 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.92 163.07 14.51 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.77 45.27 1.25 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.17 152.05 51.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.747 -0.596 . . . . 0.0 109.558 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.0 tp -123.23 140.99 52.45 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -89.41 153.17 21.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.977 -1.077 . . . . 0.0 109.575 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.65 92.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.054 -1.029 . . . . 0.0 110.061 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.23 -41.14 88.01 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.16 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.24 -34.69 36.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.01 -1.056 . . . . 0.0 109.137 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.66 -44.42 96.99 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -53.33 -55.51 24.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.808 -1.183 . . . . 0.0 109.077 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -47.19 -34.3 6.2 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.668 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.13 -43.89 77.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.811 -1.181 . . . . 0.0 109.413 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.04 -38.01 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.69 -1.256 . . . . 0.0 109.392 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.47 -26.65 68.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 111.272 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -116.11 4.79 13.7 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.266 -0.896 . . . . 0.0 111.083 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -120.29 -28.58 5.01 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.104 -0.997 . . . . 0.0 110.505 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.02 23.61 11.53 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.25 -25.76 63.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.423 -0.798 . . . . 0.0 109.538 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.49 -42.94 61.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.375 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -69.91 -23.37 63.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.06 -29.33 3.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 109.648 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.05 -41.17 64.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.971 -1.08 . . . . 0.0 109.916 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.456 ' OE1' ' NE2' ' B' ' 90' ' ' HIS . 25.4 mt-10 -87.28 59.42 5.54 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.255 -0.903 . . . . 0.0 110.004 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.54 102.03 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.494 ' NZ ' ' CE1' ' B' ' 85' ' ' HIS . 29.9 mmtm -86.98 -40.76 14.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.983 . . . . 0.0 109.37 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 7.9 mp0 -85.6 105.76 16.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.454 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 24.9 mp0 -82.92 -28.38 29.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.049 -1.032 . . . . 0.0 109.526 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -73.67 -22.03 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.375 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -75.18 -50.36 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.651 -1.281 . . . . 0.0 108.186 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.3 -33.9 63.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.942 -1.099 . . . . 0.0 109.035 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.23 -42.69 91.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -70.21 -26.75 64.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.828 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.32 -55.61 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.67 -1.269 . . . . 0.0 108.372 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.67 -25.23 17.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.384 -0.823 . . . . 0.0 110.216 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -85.77 -34.76 21.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.89 -1.131 . . . . 0.0 109.373 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -48.87 66.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.673 -1.267 . . . . 0.0 108.131 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.51 -56.64 19.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.549 -1.344 . . . . 0.0 108.221 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.72 -24.7 6.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.16 -0.962 . . . . 0.0 109.194 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.73 39.66 1.35 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.263 1.03 . . . . 0.0 109.559 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.597 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.2 t70 -45.29 -35.15 3.27 Favored 'General case' 0 C--N 1.275 -2.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.117 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.94 -9.23 0.01 OUTLIER Glycine 0 N--CA 1.494 2.528 0 O-C-N 122.057 -0.402 . . . . 0.0 112.846 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.597 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.7 p30 -106.08 -31.38 8.74 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.597 1.698 . . . . 0.0 112.356 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 104.43 -26.69 21.97 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 119.884 -1.76 . . . . 0.0 109.554 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 49.1 mt-10 -148.77 130.88 15.4 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.038 -1.272 . . . . 0.0 109.762 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.49 125.94 49.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.136 -0.977 . . . . 0.0 109.28 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 29.0 t70 -83.91 -174.68 5.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.759 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.517 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 28.9 t80 -76.36 -33.85 58.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.308 -0.87 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -59.03 -39.2 81.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.904 -1.122 . . . . 0.0 109.01 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.37 -23.25 61.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.148 -0.97 . . . . 0.0 109.506 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.562 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 23.6 t80 -77.57 -41.39 39.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.357 -0.839 . . . . 0.0 109.712 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.82 -27.24 67.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.207 -1.558 . . . . 0.0 108.77 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.4 9.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.296 -1.503 . . . . 0.0 110.264 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.3 -33.94 71.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.598 -1.314 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.562 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.5 t -63.64 -33.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.109 -0.994 . . . . 0.0 108.971 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.594 ' HG ' ' H ' ' B' ' 79' ' ' MET . 52.2 p -70.32 -52.61 21.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 110.26 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.594 ' H ' ' HG ' ' B' ' 78' ' ' SER . 83.9 mtp -50.34 -38.51 42.4 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 0.0 110.868 -178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.52 -50.01 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -60.11 -41.65 93.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.859 -1.151 . . . . 0.0 108.767 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -73.06 -21.18 60.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.735 . . . . 0.0 109.817 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.53 -27.04 56.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.073 -1.017 . . . . 0.0 109.044 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.431 ' O ' ' O ' ' B' ' 85' ' ' HIS . 19.0 p -73.53 150.06 41.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.403 -0.811 . . . . 0.0 109.441 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.637 ' N ' ' HD1' ' B' ' 85' ' ' HIS . 0.5 OUTLIER -47.91 174.34 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.77 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -47.55 99.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.174 -0.954 . . . . 0.0 109.391 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.636 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 30.1 p90 -64.87 -24.49 67.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.114 -0.991 . . . . 0.0 109.568 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.636 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 24.0 m-85 -52.85 -42.06 64.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.027 . . . . 0.0 109.031 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' B' ' 91' ' ' GLU . 49.7 mt-10 -103.22 55.15 0.75 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.754 -0.591 . . . . 0.0 109.513 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.456 ' NE2' ' OE1' ' B' ' 46' ' ' GLU . 11.8 t-80 -66.99 67.57 0.07 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 89' ' ' GLU . 41.7 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.497 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' A' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p -61.09 165.95 3.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.239 -0.913 . . . . 0.0 109.302 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.32 -35.54 69.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.193 -0.942 . . . . 0.0 109.538 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.45 -54.54 45.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.851 . . . . 0.0 109.663 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -54.97 -47.38 74.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.31 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -48.52 -43.47 35.28 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.762 0.791 . . . . 0.0 109.686 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.15 -28.66 42.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.803 -0.561 . . . . 0.0 110.767 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.491 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -58.94 -41.72 88.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.501 -1.374 . . . . 0.0 108.326 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.3 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.2 69.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.254 -0.904 . . . . 0.0 110.13 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.97 -57.83 9.03 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.033 0.921 . . . . 0.0 109.899 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.496 ' CG2' ' CD1' ' B' ' 87' ' ' PHE . 63.0 mt -57.85 -39.16 69.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.085 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -69.51 -36.4 76.41 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.045 -1.034 . . . . 0.0 110.774 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.39 -34.97 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.396 -1.44 . . . . 0.0 109.459 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -60.25 -33.68 72.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.762 -1.211 . . . . 0.0 108.109 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.78 -30.38 61.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.497 -0.752 . . . . 0.0 109.646 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.93 -45.25 74.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -70.41 -43.02 70.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.062 -1.023 . . . . 0.0 109.238 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -96.95 61.06 1.78 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.05 -8.96 11.1 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.48 -31.95 73.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.546 -0.973 . . . . 0.0 109.328 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 23' ' ' ASP . 88.8 mt-10 -148.79 -45.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.604 -1.31 . . . . 0.0 110.172 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.3 12.26 0.3 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 21' ' ' GLU . 25.1 t0 -47.93 -59.46 3.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -1.153 . . . . 0.0 108.634 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -90.25 177.63 6.37 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -122.84 47.34 1.98 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -134.64 147.61 50.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.749 -0.594 . . . . 0.0 109.995 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 tp -122.22 142.39 50.48 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.82 154.75 19.28 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.889 -1.132 . . . . 0.0 109.605 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 30' ' ' SER . 4.3 pttm -59.57 -40.14 86.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.069 -1.019 . . . . 0.0 109.961 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.672 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 35.8 p -57.08 -39.79 75.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.296 -0.878 . . . . 0.0 111.11 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.672 ' N ' ' HG ' ' A' ' 30' ' ' SER . 79.0 mm-40 -82.06 -33.84 29.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.757 -1.214 . . . . 0.0 108.867 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.91 -46.46 89.3 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.79 -56.62 14.34 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.37 -1.456 . . . . 0.0 108.877 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.69 -35.95 15.05 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.229 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.09 -39.88 90.34 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 109.524 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 36' ' ' ILE . 65.5 mt -62.92 -40.23 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.83 -1.169 . . . . 0.0 109.549 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.75 -25.28 66.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 112.278 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -113.66 -17.91 12.02 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.002 -1.062 . . . . 0.0 111.752 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -97.89 -22.43 16.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.683 -1.261 . . . . 0.0 110.936 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.88 29.14 7.71 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.155 -0.965 . . . . 0.0 109.571 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -26.6 61.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.504 -0.747 . . . . 0.0 110.223 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -73.96 -52.15 13.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.979 -1.075 . . . . 0.0 110.129 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -63.97 -23.17 67.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.945 . . . . 0.0 109.533 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.77 -30.98 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.307 -0.871 . . . . 0.0 109.045 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -72.79 -39.21 66.89 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.101 -0.999 . . . . 0.0 109.115 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.42 58.27 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.66 149.19 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.76 -50.71 0.5 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.3 mt-10 -74.14 62.34 0.91 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.0 108.68 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.95 -24.9 0.16 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.404 -0.81 . . . . 0.0 110.338 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' GLU . 22.8 mt-10 -73.76 -22.64 59.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.107 -0.996 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.04 -50.28 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.613 -1.305 . . . . 0.0 107.93 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.56 -33.7 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.932 -1.105 . . . . 0.0 109.084 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -59.98 -44.6 94.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.61 -26.01 64.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.895 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.74 -56.52 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.825 -1.172 . . . . 0.0 108.175 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.32 15.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 110.211 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.62 -34.45 21.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.766 -1.209 . . . . 0.0 109.452 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 p -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.687 -1.258 . . . . 0.0 108.236 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.43 -56.83 15.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.633 -1.292 . . . . 0.0 108.285 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.17 -24.25 6.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 0.0 109.298 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.4 41.52 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 122.343 1.068 . . . . 0.0 109.014 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.602 ' C ' ' H ' ' A' ' 65' ' ' ASP . 25.9 t70 -43.99 -34.73 1.8 Allowed 'General case' 0 C--N 1.275 -2.672 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.786 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.88 -12.45 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 O-C-N 121.987 -0.446 . . . . 0.0 112.545 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.2 p30 -104.58 -31.21 9.53 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 119.584 1.692 . . . . 0.0 111.915 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 105.27 -25.57 24.5 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.974 -1.704 . . . . 0.0 109.339 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.41 129.44 15.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.15 -1.206 . . . . 0.0 109.798 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.491 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 49.0 m -101.64 125.07 48.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.99 -1.069 . . . . 0.0 109.192 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 30.6 t70 -83.2 -174.66 5.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.233 -0.917 . . . . 0.0 109.875 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.5 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.3 t80 -74.9 -33.73 62.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.323 -0.861 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.31 -37.62 81.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.094 . . . . 0.0 109.103 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.62 -25.93 61.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.075 -1.016 . . . . 0.0 109.878 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.9 t80 -74.86 -41.53 59.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.349 -0.845 . . . . 0.0 109.801 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -64.46 -48.49 75.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.045 -1.659 . . . . 0.0 108.061 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.0 63.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.422 -1.424 . . . . 0.0 110.996 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -70.17 -32.04 69.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.413 -1.43 . . . . 0.0 109.757 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 54.9 t -65.14 -34.28 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 0.0 109.206 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.2 p -71.31 -53.9 12.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.054 -1.029 . . . . 0.0 109.96 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.416 ' N ' ' OG ' ' A' ' 78' ' ' SER . 9.7 mtt -50.57 -39.4 49.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.228 -0.92 . . . . 0.0 110.675 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.18 -49.49 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.757 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 34.4 m -62.45 -41.51 98.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.146 -0.971 . . . . 0.0 108.905 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 78' ' ' SER . 17.6 p -67.71 -21.07 65.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.2 63.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.149 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.0 p -71.6 152.85 42.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 109.431 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.701 ' H ' ' HD1' ' A' ' 85' ' ' HIS . 5.7 m80 -43.63 156.84 0.05 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -50.38 103.05 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.133 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 42.1 p90 -61.09 -23.63 65.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 110.063 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CE1' ' CZ ' ' A' ' 87' ' ' PHE . 56.8 m-85 -50.99 -40.7 58.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.953 -1.092 . . . . 0.0 109.303 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' CD ' ' N ' ' A' ' 89' ' ' GLU . 16.9 mp0 -100.34 57.43 0.94 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.383 -0.823 . . . . 0.0 109.547 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.551 ' C ' ' HD1' ' A' ' 90' ' ' HIS . 0.9 OUTLIER -60.02 90.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.921 . . . . 0.0 109.265 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.457 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.594 ' N ' ' SD ' ' B' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p -61.15 166.0 3.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.29 -35.56 69.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.543 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.47 -54.45 46.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 0.0 109.724 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -54.95 -47.47 74.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.192 -0.943 . . . . 0.0 109.261 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -48.46 -43.45 34.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.791 0.805 . . . . 0.0 109.713 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.18 -28.7 42.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.821 -0.549 . . . . 0.0 110.761 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -58.89 -41.77 87.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.547 -1.346 . . . . 0.0 108.304 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.715 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.15 69.77 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.239 -0.913 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.99 -57.78 9.19 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.993 0.901 . . . . 0.0 109.915 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.49 ' CG2' ' CD1' ' A' ' 87' ' ' PHE . 63.1 mt -57.91 -39.11 69.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.087 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -69.58 -36.38 76.22 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.018 -1.051 . . . . 0.0 110.746 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.38 -35.03 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.41 -1.432 . . . . 0.0 109.448 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -60.16 -33.71 72.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.721 -1.237 . . . . 0.0 108.135 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.73 -30.46 61.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.0 109.694 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.86 -45.32 74.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.54 -0.725 . . . . 0.0 109.926 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.41 -42.99 70.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.031 -1.043 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -96.98 61.11 1.77 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.07 -8.96 11.07 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.45 -31.95 73.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.511 -0.993 . . . . 0.0 109.341 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' B' ' 23' ' ' ASP . 88.8 mt-10 -148.82 -45.13 0.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.544 -1.347 . . . . 0.0 110.111 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.27 12.27 0.29 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' B' ' 21' ' ' GLU . 25.1 t0 -47.9 -59.49 3.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -1.182 . . . . 0.0 108.613 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -90.15 177.66 6.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 9.2 p80 -122.84 47.2 2.0 Allowed 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -134.55 147.58 50.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 110.034 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 tp -122.21 142.4 50.47 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.86 154.76 19.26 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.936 -1.103 . . . . 0.0 109.584 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' B' ' 30' ' ' SER . 4.2 pttm -59.57 -40.13 86.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.094 -1.004 . . . . 0.0 109.938 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.652 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 36.0 p -57.08 -39.85 75.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.895 . . . . 0.0 111.046 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.652 ' N ' ' HG ' ' B' ' 30' ' ' SER . 78.8 mm-40 -82.01 -33.84 29.87 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.779 -1.201 . . . . 0.0 108.866 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.9 -46.5 89.15 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.76 -56.64 14.2 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.366 -1.459 . . . . 0.0 108.912 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.63 -36.03 14.96 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.207 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.9 tp -65.97 -39.96 90.84 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.952 -1.093 . . . . 0.0 109.602 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.434 HD11 HG22 ' B' ' 36' ' ' ILE . 66.2 mt -62.81 -40.3 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.795 -1.191 . . . . 0.0 109.569 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.73 -25.32 66.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.505 -0.747 . . . . 0.0 112.278 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.65 -17.91 12.02 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.958 -1.089 . . . . 0.0 111.734 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -97.83 -22.53 16.32 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.732 -1.23 . . . . 0.0 110.978 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.78 29.14 7.72 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.132 -0.98 . . . . 0.0 109.534 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.94 -26.64 61.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.476 -0.765 . . . . 0.0 110.169 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -74.01 -52.07 13.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.933 -1.104 . . . . 0.0 110.138 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -64.0 -23.26 67.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.513 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -30.97 6.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.266 -0.896 . . . . 0.0 109.062 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.77 -39.24 66.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.134 -0.979 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.29 58.21 4.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.411 -0.805 . . . . 0.0 109.646 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm -121.7 149.22 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.79 -50.66 0.49 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.347 -0.846 . . . . 0.0 109.022 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 51' ' ' GLU . 17.3 mt-10 -74.13 62.26 0.9 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 108.67 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.98 -24.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.429 -0.794 . . . . 0.0 110.33 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 49' ' ' GLU . 22.8 mt-10 -73.77 -22.63 59.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.117 -0.989 . . . . 0.0 110.078 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.11 -50.25 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.705 -1.247 . . . . 0.0 107.904 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.53 -33.7 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.907 -1.121 . . . . 0.0 109.125 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -60.01 -44.56 94.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.58 -26.03 64.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.77 -56.55 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.847 -1.158 . . . . 0.0 108.106 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.38 16.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.53 -34.48 21.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.802 -1.186 . . . . 0.0 109.505 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -67.76 -46.96 70.57 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.709 -1.244 . . . . 0.0 108.27 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.602 -1.311 . . . . 0.0 108.257 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.21 -24.12 6.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -0.979 . . . . 0.0 109.314 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -101.41 41.44 1.2 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 122.403 1.097 . . . . 0.0 109.348 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.606 ' C ' ' H ' ' B' ' 65' ' ' ASP . 25.5 t70 -43.95 -34.67 1.75 Allowed 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.79 -12.66 0.01 OUTLIER Glycine 0 N--CA 1.495 2.569 0 O-C-N 121.976 -0.453 . . . . 0.0 112.659 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.606 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.2 p30 -104.46 -31.24 9.57 Favored 'General case' 0 N--CA 1.513 2.688 0 CA-C-N 119.523 1.661 . . . . 0.0 111.936 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.52 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 105.39 -25.61 24.2 Favored Glycine 0 N--CA 1.499 2.89 0 O-C-N 119.878 -1.764 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.38 129.41 15.45 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.055 -1.262 . . . . 0.0 109.767 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 49.6 m -101.65 125.06 48.24 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.97 -1.081 . . . . 0.0 109.185 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 30.7 t70 -83.25 -174.72 5.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.197 -0.939 . . . . 0.0 109.887 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.508 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.5 t80 -74.84 -33.83 62.21 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -0.854 . . . . 0.0 108.847 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.27 -37.67 81.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.932 -1.105 . . . . 0.0 109.07 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.6 -25.82 61.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.971 . . . . 0.0 109.944 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.9 t80 -74.85 -41.54 59.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.857 . . . . 0.0 109.837 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -64.49 -48.5 74.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.105 -1.622 . . . . 0.0 108.036 179.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.97 63.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.394 -1.441 . . . . 0.0 111.007 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -70.18 -32.09 69.86 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.347 -1.471 . . . . 0.0 109.72 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 54.8 t -65.14 -34.28 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.193 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.1 p -71.25 -53.96 12.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.088 -1.008 . . . . 0.0 109.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.419 ' N ' ' OG ' ' B' ' 78' ' ' SER . 9.7 mtt -50.48 -39.47 48.34 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.203 -0.936 . . . . 0.0 110.673 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.13 -49.58 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.069 -1.019 . . . . 0.0 109.759 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.503 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 33.7 m -62.39 -41.53 98.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.163 -0.96 . . . . 0.0 108.897 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 78' ' ' SER . 17.6 p -67.74 -20.99 65.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 109.403 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.15 63.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.142 -0.974 . . . . 0.0 109.176 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.0 p -71.51 152.82 42.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.832 . . . . 0.0 109.475 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.69 ' H ' ' HD1' ' B' ' 85' ' ' HIS . 5.7 m80 -43.6 156.81 0.05 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.458 -0.776 . . . . 0.0 110.1 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 1.0 OUTLIER -50.32 103.05 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 109.139 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' B' ' 88' ' ' PHE . 42.2 p90 -61.03 -23.65 65.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 110.033 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CE1' ' CZ ' ' B' ' 87' ' ' PHE . 56.8 m-85 -51.08 -40.57 58.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.939 -1.1 . . . . 0.0 109.346 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' B' ' 89' ' ' GLU . 16.9 mp0 -100.38 57.4 0.94 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.431 -0.793 . . . . 0.0 109.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.552 ' HD1' ' C ' ' B' ' 90' ' ' HIS . 0.9 OUTLIER -59.97 90.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.286 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.472 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 169.75 6.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 6.1 mp0 -57.48 -35.46 70.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.112 -0.992 . . . . 0.0 109.423 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.45 -52.29 65.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.745 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' OE1' ' CG ' ' B' ' 42' ' ' HIS . 28.8 mt-10 -49.89 -45.61 50.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.086 -1.009 . . . . 0.0 109.634 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -48.67 -44.39 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.729 0.776 . . . . 0.0 109.686 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.23 -28.74 47.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.734 -0.604 . . . . 0.0 110.837 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -61.57 -46.72 88.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.598 -1.314 . . . . 0.0 108.534 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.14 -35.06 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 110.217 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.72 76.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.01 -1.056 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.29 16.53 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.949 0.881 . . . . 0.0 109.642 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 92.5 mt -56.07 -38.72 54.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.663 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -70.13 -36.58 74.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.711 -1.243 . . . . 0.0 110.928 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.0 t -70.11 -35.52 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.297 -1.502 . . . . 0.0 109.208 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.81 -31.67 71.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.6 -1.313 . . . . 0.0 107.708 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 11' ' ' ILE . 21.6 m170 -72.83 -36.02 67.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.605 -0.685 . . . . 0.0 109.959 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.404 -0.81 . . . . 0.0 110.34 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.77 -43.61 62.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.881 -1.137 . . . . 0.0 109.253 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.88 60.99 1.52 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.235 -0.916 . . . . 0.0 110.132 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -7.84 11.31 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 107.448 -2.261 . . . . 0.0 107.448 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.44 -33.62 76.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.613 -0.933 . . . . 0.0 109.01 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' A' ' 23' ' ' ASP . 75.3 mt-10 -147.65 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.622 -1.298 . . . . 0.0 110.177 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.88 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 21' ' ' GLU . 31.0 t70 -49.92 -58.53 5.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -1.233 . . . . 0.0 108.26 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.9 169.6 11.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.495 ' CE1' ' HZ3' ' A' ' 26' ' ' LYS . 51.2 p-80 -118.04 47.82 1.51 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HZ3' ' CE1' ' A' ' 25' ' ' HIS . 50.9 mttp -132.51 146.41 51.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.781 -0.574 . . . . 0.0 110.095 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -123.45 143.07 50.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -91.89 155.01 18.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.873 -1.142 . . . . 0.0 109.824 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' A' ' 30' ' ' SER . 4.9 pttm -58.64 -39.98 82.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 109.961 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 19.0 t -57.74 -39.86 78.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.407 -0.808 . . . . 0.0 111.344 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -81.19 -39.05 26.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.826 -1.171 . . . . 0.0 109.03 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.0 -46.1 78.83 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.61 20.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.406 -1.434 . . . . 0.0 109.098 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.92 -35.2 10.22 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.713 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.09 -41.58 81.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.799 -1.188 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -56.04 -35.47 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.636 -1.29 . . . . 0.0 109.458 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.38 -45.75 82.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.438 -0.789 . . . . 0.0 111.568 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.79 -16.86 22.64 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.943 -1.098 . . . . 0.0 111.357 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -96.86 -28.12 14.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.802 -1.186 . . . . 0.0 110.836 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -118.74 32.88 5.9 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.17 -40.46 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CG ' ' OE1' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -68.91 -50.63 47.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.01 -1.056 . . . . 0.0 109.994 -179.503 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.69 -30.13 63.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.192 -0.943 . . . . 0.0 109.449 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.19 -22.38 0.99 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.435 -0.791 . . . . 0.0 109.839 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.92 -41.38 23.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 110.054 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.59 58.39 3.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 0.0 109.983 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -119.42 157.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.527 -0.733 . . . . 0.0 109.029 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -145.56 -51.59 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.138 -0.976 . . . . 0.0 108.986 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.31 65.98 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.22 -0.925 . . . . 0.0 108.684 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.84 -22.8 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.863 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -73.44 -22.13 60.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.865 -1.147 . . . . 0.0 110.197 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.43 -51.11 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.288 . . . . 0.0 107.798 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.49 -32.73 56.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.972 -1.08 . . . . 0.0 108.73 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.86 -47.29 87.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.414 -0.804 . . . . 0.0 109.843 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.81 -27.16 68.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.146 -0.971 . . . . 0.0 109.862 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.07 -55.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.704 -1.248 . . . . 0.0 108.153 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.67 -28.27 32.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 0.0 110.533 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.16 -34.24 20.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.772 -1.205 . . . . 0.0 109.508 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.86 -43.58 75.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.779 -1.201 . . . . 0.0 108.228 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.72 -57.37 12.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.73 -1.231 . . . . 0.0 108.317 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.61 -22.07 1.85 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.0 109.076 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.44 40.32 1.37 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 122.145 0.974 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 65' ' ' ASP . 19.1 t70 -44.65 -37.68 3.82 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-O 121.6 0.714 . . . . 0.0 109.889 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.05 -7.15 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.536 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 63' ' ' ASP . 43.6 m-20 -109.11 -8.99 15.07 Favored 'General case' 0 N--CA 1.512 2.656 0 CA-C-N 119.13 1.465 . . . . 0.0 112.476 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 79.33 -29.07 2.25 Favored Glycine 0 N--CA 1.493 2.485 0 O-C-N 119.622 -1.924 . . . . 0.0 110.691 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -145.8 130.01 17.58 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.02 -1.283 . . . . 0.0 110.048 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 74.5 m -103.53 125.0 49.82 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.188 -0.945 . . . . 0.0 108.809 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -81.28 -175.18 5.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 109.971 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.06 -35.07 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -55.01 -35.95 64.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.997 -1.064 . . . . 0.0 108.471 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.53 -24.48 61.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.68 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -75.26 -41.84 56.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.99 -53.96 26.36 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.245 -1.535 . . . . 0.0 108.404 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.75 -46.94 67.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.368 -1.458 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.45 -33.86 76.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.565 -1.335 . . . . 0.0 109.447 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.6 t -66.02 -33.24 62.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 16.3 t -71.17 -54.39 11.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 0.0 110.148 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 71.0 mtp -50.21 -39.4 44.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 110.876 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.62 -55.84 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.994 -1.066 . . . . 0.0 109.871 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.1 -40.21 73.35 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.921 -1.112 . . . . 0.0 108.594 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 78' ' ' SER . 38.7 p -73.92 -20.9 60.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 109.562 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.62 -26.31 43.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.066 -1.021 . . . . 0.0 108.953 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.5 t -72.29 150.29 43.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.361 -0.837 . . . . 0.0 109.103 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 78.4 t60 -45.55 167.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.309 -0.87 . . . . 0.0 109.859 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 97.6 mt-10 -47.1 106.59 0.09 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.92 . . . . 0.0 109.592 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.545 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 37.7 p90 -65.58 -23.12 66.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.346 -0.846 . . . . 0.0 109.523 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 60.3 m-85 -50.01 -40.96 46.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 109.173 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -100.52 56.49 0.9 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.608 -0.682 . . . . 0.0 109.231 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -67.2 102.24 1.02 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.421 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p -65.83 169.69 6.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.124 -0.985 . . . . 0.0 109.3 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 6.1 mp0 -57.43 -35.45 70.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 109.451 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.48 -52.24 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 109.759 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.428 ' OE1' ' CG ' ' A' ' 42' ' ' HIS . 28.9 mt-10 -49.94 -45.64 51.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.08 -1.012 . . . . 0.0 109.577 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -48.67 -44.35 37.63 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.736 0.779 . . . . 0.0 109.706 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.26 -28.66 47.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.736 -0.603 . . . . 0.0 110.888 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -61.65 -46.7 88.65 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.551 -1.343 . . . . 0.0 108.479 179.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.22 -34.97 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.49 -0.756 . . . . 0.0 110.177 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.78 76.39 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.064 -1.023 . . . . 0.0 109.371 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.25 16.65 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.915 0.864 . . . . 0.0 109.644 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 92.5 mt -56.04 -38.75 54.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.639 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -70.18 -36.59 74.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.756 -1.215 . . . . 0.0 110.87 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.09 -35.5 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.337 -1.477 . . . . 0.0 109.254 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.8 -31.68 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.637 -1.289 . . . . 0.0 107.716 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 11' ' ' ILE . 21.7 m170 -72.82 -36.02 67.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.665 -0.647 . . . . 0.0 109.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.9 70.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.397 -0.814 . . . . 0.0 110.322 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.75 -43.56 62.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.004 -1.06 . . . . 0.0 109.307 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.9 60.94 1.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -0.888 . . . . 0.0 110.129 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.9 -7.77 11.35 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 107.468 -2.253 . . . . 0.0 107.468 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.49 -33.54 75.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.568 -0.96 . . . . 0.0 109.0 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -147.71 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.674 -1.266 . . . . 0.0 110.18 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.9 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' B' ' 21' ' ' GLU . 31.0 t70 -49.96 -58.45 5.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.058 -1.26 . . . . 0.0 108.304 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.95 169.58 11.1 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.481 ' CE1' ' HZ3' ' B' ' 26' ' ' LYS . 51.2 p-80 -118.03 47.88 1.5 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.481 ' HZ3' ' CE1' ' B' ' 25' ' ' HIS . 50.9 mttp -132.55 146.44 51.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.728 -0.607 . . . . 0.0 110.081 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -123.53 143.1 50.4 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -91.88 155.0 18.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.9 -1.125 . . . . 0.0 109.837 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' B' ' 30' ' ' SER . 4.9 pttm -58.66 -39.94 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.977 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.418 ' H ' ' HG3' ' B' ' 29' ' ' LYS . 19.1 t -57.79 -39.86 78.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.438 -0.789 . . . . 0.0 111.325 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -81.14 -39.03 26.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.757 -1.214 . . . . 0.0 109.082 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -55.97 -46.13 78.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.68 19.96 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.484 -1.385 . . . . 0.0 109.093 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.82 -35.24 9.85 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.714 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.05 -41.6 81.78 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.742 -1.224 . . . . 0.0 109.451 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.17 -35.35 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.675 -1.265 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.46 -45.7 82.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 111.572 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.81 -16.86 22.62 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.877 -1.14 . . . . 0.0 111.369 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -96.86 -28.13 14.37 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.801 -1.187 . . . . 0.0 110.844 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -118.74 32.87 5.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.353 -0.842 . . . . 0.0 109.034 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.2 -40.53 71.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 0.0 110.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.413 ' CG ' ' OE1' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.89 -50.61 48.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.912 -1.118 . . . . 0.0 109.973 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.72 -30.1 63.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.141 -0.974 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.22 -22.36 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.384 -0.823 . . . . 0.0 109.794 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.97 -41.27 23.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.999 -1.063 . . . . 0.0 110.106 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.63 58.41 3.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 109.974 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -119.42 157.91 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.495 -0.753 . . . . 0.0 108.98 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -145.56 -51.52 0.25 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.2 -0.938 . . . . 0.0 109.022 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.35 66.0 5.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.899 . . . . 0.0 108.666 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.85 -22.84 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.833 . . . . 0.0 110.823 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.41 -22.13 60.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.914 -1.116 . . . . 0.0 110.184 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.44 -51.09 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.636 -1.29 . . . . 0.0 107.845 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.45 -32.8 56.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.005 -1.059 . . . . 0.0 108.753 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.81 -47.28 87.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.86 -27.2 68.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.04 -55.61 21.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.698 -1.251 . . . . 0.0 108.108 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.58 -28.35 31.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.21 -34.12 20.57 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.771 -1.206 . . . . 0.0 109.539 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.88 -43.59 75.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 108.252 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.82 -57.26 13.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.67 -1.268 . . . . 0.0 108.302 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.68 -21.99 1.85 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.116 -0.99 . . . . 0.0 109.061 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.43 40.35 1.37 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 122.206 1.003 . . . . 0.0 109.489 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.63 ' C ' ' H ' ' B' ' 65' ' ' ASP . 18.7 t70 -44.49 -37.82 3.73 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.4 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.98 -7.31 0.01 OUTLIER Glycine 0 N--CA 1.489 2.222 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.648 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.63 ' H ' ' C ' ' B' ' 63' ' ' ASP . 43.9 m-20 -109.11 -8.92 15.08 Favored 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 119.009 1.405 . . . . 0.0 112.497 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 79.41 -29.21 2.27 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 119.551 -1.968 . . . . 0.0 110.699 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -145.72 129.98 17.63 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.04 -1.271 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.488 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 74.7 m -103.54 125.04 49.84 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.178 -0.951 . . . . 0.0 108.786 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -81.33 -175.12 5.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.116 -0.99 . . . . 0.0 109.933 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.12 -35.06 64.09 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -55.02 -35.95 64.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.994 -1.067 . . . . 0.0 108.478 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.51 -24.43 61.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 109.722 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -75.24 -41.95 56.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 109.287 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.7 tpt -66.78 -54.05 26.65 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.308 -1.495 . . . . 0.0 108.443 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -46.93 67.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.386 -1.446 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.5 -33.79 75.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.591 -1.318 . . . . 0.0 109.466 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 22.5 t -66.1 -33.2 61.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.096 -1.002 . . . . 0.0 108.6 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.424 ' O ' ' OG1' ' B' ' 82' ' ' THR . 16.4 t -71.17 -54.42 11.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.923 . . . . 0.0 110.129 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 71.1 mtp -50.24 -39.39 44.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.908 . . . . 0.0 110.839 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.56 -55.84 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.035 -1.041 . . . . 0.0 109.91 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.08 -40.27 73.35 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.862 -1.149 . . . . 0.0 108.632 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' B' ' 78' ' ' SER . 38.7 p -73.89 -20.88 60.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 109.592 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.29 43.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 108.996 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' B' ' 85' ' ' HIS . 24.7 t -72.26 150.34 43.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.444 -0.785 . . . . 0.0 109.071 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.491 ' CG ' ' N ' ' B' ' 86' ' ' GLU . 78.4 t60 -45.57 167.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.287 -0.883 . . . . 0.0 109.831 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' B' ' 85' ' ' HIS . 97.6 mt-10 -47.06 106.54 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.537 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 37.9 p90 -65.54 -23.1 66.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.537 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 60.2 m-85 -50.01 -40.95 46.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.084 -1.01 . . . . 0.0 109.215 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -100.47 56.44 0.91 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -67.24 102.25 1.03 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.415 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.609 ' H3 ' ' CE1' ' B' ' 42' ' ' HIS . 8.9 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p -78.08 171.52 14.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.71 -38.51 81.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.007 -1.058 . . . . 0.0 109.314 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.73 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' OE1' ' CE1' ' B' ' 42' ' ' HIS . 75.4 tt0 -51.1 -47.11 61.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.598 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.7 -44.81 58.14 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.849 0.833 . . . . 0.0 109.844 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.75 -29.94 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.797 -0.564 . . . . 0.0 111.325 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -46.12 86.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.589 -1.319 . . . . 0.0 108.627 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.53 -34.56 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.464 -0.772 . . . . 0.0 110.241 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -50.26 74.64 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.059 -1.026 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.41 -54.99 28.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.96 0.886 . . . . 0.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.69 -39.45 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.898 -0.501 . . . . 0.0 110.753 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.44 -35.49 70.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.84 -1.163 . . . . 0.0 110.686 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.53 -42.7 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.56 -1.338 . . . . 0.0 109.597 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.09 -33.82 63.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.616 -1.303 . . . . 0.0 108.505 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.53 -29.6 59.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.23 -45.12 75.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 110.035 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -71.63 -47.61 53.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.004 -1.06 . . . . 0.0 109.41 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 m -98.42 61.03 1.39 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.365 -0.834 . . . . 0.0 110.135 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.45 -12.92 5.96 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.46 -30.57 70.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -1.161 . . . . 0.0 109.081 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASP . 41.1 tt0 -148.16 -45.23 0.16 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.675 -1.266 . . . . 0.0 109.635 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.95 24.12 0.25 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.321 . . . . 0.0 108.289 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.69 174.39 7.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -120.86 50.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.17 145.04 51.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.802 -0.561 . . . . 0.0 109.65 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' CYS . 15.3 tp -118.8 141.7 48.39 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.53 16.8 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.089 -1.007 . . . . 0.0 109.758 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.26 -39.23 86.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.421 -0.799 . . . . 0.0 110.179 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -59.45 -41.86 90.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.75 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -42.11 33.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 109.099 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 tp -55.61 -42.46 74.9 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.93 -56.96 12.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.895 -1.128 . . . . 0.0 108.792 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -48.3 -35.63 12.65 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.941 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -65.98 -47.95 72.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.0 . . . . 0.0 108.743 179.179 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -52.62 -38.87 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.285 . . . . 0.0 109.481 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -61.87 -26.03 67.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.718 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -121.0 -2.83 9.66 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.411 -0.806 . . . . 0.0 110.493 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' LEU . 21.9 tt0 -98.85 -32.26 11.44 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.96 -1.087 . . . . 0.0 110.82 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.23 34.64 4.81 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.281 -0.887 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -70.57 -24.88 62.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.0 109.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.678 ' CE1' ' H3 ' ' B' ' 0' ' ' MET . 55.8 m-70 -74.0 -42.9 59.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 110.244 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.65 -22.39 50.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.967 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.26 -27.34 2.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.318 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.25 -39.12 41.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 110.205 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.0 59.63 5.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.196 -0.94 . . . . 0.0 110.521 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.76 107.42 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.47 -0.769 . . . . 0.0 108.938 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -83.36 -57.16 3.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.053 -1.03 . . . . 0.0 108.787 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -75.5 113.9 13.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.076 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -88.88 -23.68 22.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.056 -1.028 . . . . 0.0 109.776 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.77 -24.84 58.75 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.267 -0.896 . . . . 0.0 111.324 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -74.73 -43.4 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.452 -1.405 . . . . 0.0 108.377 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.2 t -67.97 -34.08 64.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 120.651 -1.28 . . . . 0.0 108.658 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -57.34 -43.0 83.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.16 -27.09 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.154 -0.966 . . . . 0.0 109.884 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.27 -55.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.539 -1.351 . . . . 0.0 107.677 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -53.0 -28.62 24.83 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.65 -38.84 14.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.059 -1.025 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.09 -39.73 78.84 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.6 tp -69.17 -57.08 5.85 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.784 -1.197 . . . . 0.0 108.026 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -50.94 -18.25 0.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.084 -1.01 . . . . 0.0 109.135 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' LEU . 87.6 mt-10 -100.24 40.99 1.2 Allowed 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.308 1.052 . . . . 0.0 109.067 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' A' ' 65' ' ' ASP . 18.2 p-10 -45.01 -34.04 2.3 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.494 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.46 -6.14 0.01 OUTLIER Glycine 0 N--CA 1.499 2.844 0 O-C-N 121.974 -0.454 . . . . 0.0 112.111 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' A' ' 63' ' ' ASP . 54.0 t0 -104.39 -31.45 9.51 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 119.164 1.482 . . . . 0.0 111.926 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.24 -27.81 18.42 Favored Glycine 0 N--CA 1.499 2.85 0 O-C-N 119.873 -1.767 . . . . 0.0 109.049 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.59 130.6 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.213 -1.169 . . . . 0.0 109.769 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . 11.4 m -104.0 126.76 51.37 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.171 -0.955 . . . . 0.0 109.45 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 23.8 t70 -81.15 -172.3 3.69 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.919 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.502 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 26.4 t80 -74.3 -28.88 61.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.336 -0.853 . . . . 0.0 108.762 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -63.83 -36.11 82.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.862 -1.149 . . . . 0.0 108.477 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -71.98 -24.91 61.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.914 . . . . 0.0 109.689 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -73.21 -41.82 63.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.87 -51.8 55.71 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.292 -1.505 . . . . 0.0 108.416 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.27 46.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.306 -1.496 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -59.92 -36.89 77.98 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.885 -1.134 . . . . 0.0 109.223 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.85 -34.0 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 0.0 108.975 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.71 42.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.411 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.62 -36.53 35.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.975 -1.078 . . . . 0.0 110.487 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.84 -47.92 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.774 -1.204 . . . . 0.0 109.409 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.23 -36.87 74.82 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 108.841 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -69.25 -26.63 64.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 109.825 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' C ' ' H ' ' A' ' 85' ' ' HIS . . . -56.71 -37.68 71.28 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' A' ' 85' ' ' HIS . 11.2 m -74.22 41.27 0.13 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 22.9 t60 -48.67 176.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.581 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.531 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 38.6 tt0 56.92 19.22 4.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.212 -0.93 . . . . 0.0 108.93 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 32.7 p90 -63.34 -24.5 67.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.477 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CE1' ' CE1' ' A' ' 87' ' ' PHE . 13.0 m-85 -49.56 -31.04 9.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.981 . . . . 0.0 108.901 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -91.2 55.28 2.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.453 -0.779 . . . . 0.0 108.969 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -64.69 135.65 56.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -0.858 . . . . 0.0 109.467 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.307 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.678 ' H3 ' ' CE1' ' A' ' 42' ' ' HIS . 8.9 ptt? . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.217 0.532 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p -78.0 171.49 14.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.153 -0.967 . . . . 0.0 109.166 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.73 -38.42 81.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.051 -1.03 . . . . 0.0 109.313 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.83 -49.01 79.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.853 . . . . 0.0 109.027 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CD2' ' A' ' 42' ' ' HIS . 75.6 tt0 -51.14 -47.16 62.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.24 -0.912 . . . . 0.0 109.617 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.63 -44.8 57.45 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.813 0.816 . . . . 0.0 109.829 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.86 56.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.838 -0.539 . . . . 0.0 111.344 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -46.12 86.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.623 -1.298 . . . . 0.0 108.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.54 -34.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.534 -0.728 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.19 74.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.085 -1.009 . . . . 0.0 109.61 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 22.4 mt -53.52 -54.96 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.902 0.858 . . . . 0.0 110.543 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.7 -39.43 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.884 -0.51 . . . . 0.0 110.803 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.41 -35.54 71.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.867 -1.146 . . . . 0.0 110.75 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 77.8 t -69.47 -42.76 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.524 -1.36 . . . . 0.0 109.59 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.03 -33.87 63.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.613 -1.304 . . . . 0.0 108.531 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.55 -29.6 59.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 109.683 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -55.15 -45.16 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.084 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -71.7 -47.48 53.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 109.38 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -98.54 61.09 1.36 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.374 -0.829 . . . . 0.0 110.051 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.48 -12.88 5.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.55 -30.49 70.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -1.15 . . . . 0.0 109.055 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 23' ' ' ASP . 40.9 tt0 -148.13 -45.34 0.16 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.648 -1.283 . . . . 0.0 109.649 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 43.06 24.09 0.26 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.934 -1.333 . . . . 0.0 108.306 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.67 174.45 7.73 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -120.83 50.57 1.33 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.15 145.04 51.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.802 -0.561 . . . . 0.0 109.599 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' B' ' 68' ' ' CYS . 15.3 tp -118.78 141.69 48.4 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.54 16.79 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.076 -1.015 . . . . 0.0 109.764 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.24 -39.27 86.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -59.5 -41.84 90.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.0 110.709 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.05 -42.18 33.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.027 -1.046 . . . . 0.0 109.089 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.57 -42.48 74.79 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.96 -56.95 12.14 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.832 -1.167 . . . . 0.0 108.788 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -48.26 -35.62 12.42 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.977 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.6 OUTLIER -66.01 -47.92 72.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.05 -1.031 . . . . 0.0 108.772 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.7 -38.82 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.649 -1.282 . . . . 0.0 109.503 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -61.87 -26.0 67.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.867 . . . . 0.0 110.744 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -120.97 -2.94 9.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.404 -0.81 . . . . 0.0 110.504 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 35' ' ' LEU . 21.8 tt0 -98.74 -32.22 11.49 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.954 -1.091 . . . . 0.0 110.872 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -126.29 34.65 4.8 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.364 -0.835 . . . . 0.0 109.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -70.58 -24.88 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 109.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.609 ' CE1' ' H3 ' ' A' ' 0' ' ' MET . 56.0 m-70 -74.03 -42.89 59.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.982 . . . . 0.0 110.201 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.63 -22.41 50.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 110.016 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.32 -27.29 2.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.0 109.321 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.24 -39.2 41.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.138 -0.977 . . . . 0.0 110.161 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.98 59.61 5.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.109 -0.994 . . . . 0.0 110.48 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.75 107.46 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.769 . . . . 0.0 108.953 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -83.42 -57.13 3.38 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.078 -1.014 . . . . 0.0 108.745 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -75.52 113.84 13.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.075 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -88.83 -23.69 22.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.012 -1.055 . . . . 0.0 109.786 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.76 -24.82 58.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.263 -0.898 . . . . 0.0 111.329 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.75 -43.35 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.393 -1.442 . . . . 0.0 108.358 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.8 t -68.1 -33.93 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.649 -1.282 . . . . 0.0 108.668 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.41 -43.01 83.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.09 -27.12 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.24 -55.49 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.556 -1.34 . . . . 0.0 107.649 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -52.96 -28.58 24.39 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 0.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.67 -38.87 14.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.101 -0.999 . . . . 0.0 109.246 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.01 -39.77 79.1 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.6 tp -69.14 -57.14 5.79 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.815 -1.178 . . . . 0.0 107.959 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.89 -18.22 0.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.092 -1.005 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' B' ' 60' ' ' LEU . 87.7 mt-10 -100.25 41.03 1.19 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.341 1.067 . . . . 0.0 109.457 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.614 ' C ' ' H ' ' B' ' 65' ' ' ASP . 18.2 p-10 -44.84 -34.13 2.21 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.084 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.29 -6.18 0.01 OUTLIER Glycine 0 N--CA 1.492 2.416 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.365 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.614 ' H ' ' C ' ' B' ' 63' ' ' ASP . 54.1 t0 -104.39 -31.41 9.53 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 120.708 -1.466 . . . . 0.0 111.878 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 -27.83 18.31 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 119.97 -1.706 . . . . 0.0 109.022 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.61 130.6 15.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.187 -1.184 . . . . 0.0 109.718 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 11.5 m -104.02 126.88 51.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.154 -0.967 . . . . 0.0 109.41 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.513 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 23.8 t70 -81.27 -172.32 3.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.215 -0.928 . . . . 0.0 109.901 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.513 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 26.3 t80 -74.27 -28.87 61.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 108.806 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -63.82 -36.04 82.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.858 -1.151 . . . . 0.0 108.526 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.04 -24.91 61.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' B' ' 73' ' ' PHE . 1.0 OUTLIER -73.2 -41.89 63.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -0.849 . . . . 0.0 108.713 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.79 -51.84 55.72 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.285 -1.509 . . . . 0.0 108.487 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.29 46.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.249 -1.532 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.89 -36.96 78.04 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.877 -1.14 . . . . 0.0 109.181 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.76 -34.13 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.895 . . . . 0.0 108.951 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.72 41.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.58 -36.47 34.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 110.488 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 80.5 t -72.87 -47.96 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.719 -1.238 . . . . 0.0 109.367 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.17 -36.95 75.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.186 -0.947 . . . . 0.0 108.817 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -69.22 -26.65 64.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 109.844 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' B' ' 85' ' ' HIS . . . -56.6 -37.83 71.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' B' ' 85' ' ' HIS . 11.1 m -74.11 41.28 0.13 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.539 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 22.8 t60 -48.72 176.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 109.587 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.539 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 38.7 tt0 56.95 19.24 4.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 108.929 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.627 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 32.7 p90 -63.36 -24.51 67.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 0.0 109.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CE1' ' CE1' ' B' ' 87' ' ' PHE . 12.9 m-85 -49.57 -31.02 9.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.183 -0.948 . . . . 0.0 108.92 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -91.23 55.34 2.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.497 -0.752 . . . . 0.0 108.992 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -64.68 135.61 56.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 109.51 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.337 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.501 ' H1 ' ' CD ' ' A' ' 4' ' ' GLU . 1.4 tmt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 p -76.75 164.01 26.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.094 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.83 -35.78 57.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.15 -0.968 . . . . 0.0 109.51 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.74 -53.27 49.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.256 -0.902 . . . . 0.0 109.991 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.501 ' CD ' ' H1 ' ' A' ' 0' ' ' MET . 45.7 mt-10 -54.69 -47.45 73.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.953 -1.092 . . . . 0.0 109.018 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.76 -43.36 58.28 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.711 0.767 . . . . 0.0 109.991 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.38 -35.87 54.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.75 -0.594 . . . . 0.0 111.614 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.57 -49.28 78.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.068 -1.645 . . . . 0.0 107.797 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -62.15 -35.28 68.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 108.706 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -60.24 -48.55 81.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.003 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.5 mp -44.85 -38.38 4.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 109.079 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.14 -38.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . 16.1 t70 -49.72 -54.86 16.35 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.722 0.772 . . . . 0.0 109.404 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.42 -35.92 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.669 -0.644 . . . . 0.0 110.722 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.1 -35.92 82.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.342 -1.474 . . . . 0.0 108.805 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -79.81 -30.48 40.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.478 -0.764 . . . . 0.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.78 -45.64 74.32 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.413 -0.804 . . . . 0.0 109.855 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.19 54.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.039 -1.038 . . . . 0.0 108.997 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -97.92 60.44 1.49 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.452 -0.78 . . . . 0.0 109.824 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.9 -13.83 5.88 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.93 -30.69 71.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.453 -1.028 . . . . 0.0 108.604 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.4 mt-10 -148.44 -44.8 0.15 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.66 -1.275 . . . . 0.0 109.758 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.27 16.35 0.16 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 23.4 t0 -48.55 -58.74 4.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -1.122 . . . . 0.0 108.234 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -89.98 159.75 16.73 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -111.66 46.43 1.12 Allowed 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -132.69 147.62 52.33 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.34 142.09 50.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.82 17.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.949 -1.094 . . . . 0.0 109.984 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.9 -38.83 79.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.882 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.61 -42.56 99.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -0.863 . . . . 0.0 110.905 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -33.85 63.14 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.914 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.88 -42.15 97.55 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.7 -57.36 11.8 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.521 -1.362 . . . . 0.0 108.771 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.57 -38.47 54.55 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.759 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.91 -38.45 86.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 36' ' ' ILE . 48.7 mt -62.04 -36.81 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.782 -1.199 . . . . 0.0 109.087 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.9 m-20 -63.79 -32.14 73.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.526 -0.734 . . . . 0.0 111.942 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -106.63 5.29 28.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.089 -1.007 . . . . 0.0 111.662 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.4 -27.25 4.12 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.926 -1.109 . . . . 0.0 111.084 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.2 mt -115.68 30.95 7.02 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.163 -0.961 . . . . 0.0 109.529 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 23.8 m -73.63 -26.76 60.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 42' ' ' HIS . 16.6 t-80 -73.4 -50.8 19.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.898 -1.126 . . . . 0.0 110.041 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -65.48 -26.63 68.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.25 -23.19 13.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.309 -0.869 . . . . 0.0 109.393 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.3 -41.35 34.09 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.972 -1.08 . . . . 0.0 109.527 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 36.3 mt-10 -87.82 60.78 6.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.94 101.61 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.442 -0.786 . . . . 0.0 109.069 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.661 ' HZ1' ' CE1' ' A' ' 85' ' ' HIS . 53.0 mttp -84.32 -42.06 16.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.0 108.932 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.22 106.41 18.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 0.0 108.845 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.05 -22.01 29.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.874 -1.141 . . . . 0.0 110.743 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.28 -23.31 60.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.921 -1.112 . . . . 0.0 111.222 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.433 -1.417 . . . . 0.0 108.585 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.99 -34.61 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.582 -1.324 . . . . 0.0 108.696 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.06 -44.53 87.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.369 -0.832 . . . . 0.0 109.685 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.37 -26.31 64.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 109.908 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.73 -57.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.734 -1.229 . . . . 0.0 108.474 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.61 -25.76 11.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.07 -33.69 20.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.988 -1.07 . . . . 0.0 108.948 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -68.12 -47.59 67.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.826 -1.171 . . . . 0.0 108.049 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.25 -57.19 14.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 108.372 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -21.66 2.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.061 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -102.94 41.77 1.22 Allowed 'General case' 0 N--CA 1.499 1.982 0 CA-C-O 122.233 1.016 . . . . 0.0 109.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.607 ' C ' ' H ' ' A' ' 65' ' ' ASP . 28.2 t0 -43.97 -36.16 2.35 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.672 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.3 -10.77 0.01 OUTLIER Glycine 0 N--CA 1.496 2.698 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.403 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.607 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.7 p30 -106.86 -31.51 8.34 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 119.424 1.612 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.66 -25.45 26.65 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 119.916 -1.74 . . . . 0.0 109.496 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -150.14 129.77 13.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.939 -1.33 . . . . 0.0 110.361 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.404 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 3.7 m -104.95 126.89 52.49 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.18 -0.95 . . . . 0.0 108.829 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 31.2 t0 -83.31 -173.49 4.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.173 -0.954 . . . . 0.0 110.193 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 30.7 t80 -74.34 -27.03 60.5 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.3 -42.65 92.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.01 -24.9 65.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.22 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 26.5 t80 -76.37 -39.79 52.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.411 -0.806 . . . . 0.0 108.883 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.68 -28.07 65.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.56 -1.337 . . . . 0.0 108.749 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.15 -46.03 21.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.418 -1.426 . . . . 0.0 109.924 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -66.65 -32.59 74.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.58 -1.325 . . . . 0.0 109.068 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.569 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 21.7 t -62.77 -35.14 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.269 -0.894 . . . . 0.0 108.867 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -69.65 -51.95 30.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.7 mtp -49.75 -38.72 34.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.57 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.81 -45.27 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.121 -0.987 . . . . 0.0 109.624 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 m -69.58 -41.6 75.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 108.841 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 p -74.05 -22.73 59.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.84 -23.81 54.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.931 -1.106 . . . . 0.0 108.828 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 86' ' ' GLU . 41.4 t -72.45 138.71 47.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 0.0 109.437 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.661 ' CE1' ' HZ1' ' A' ' 48' ' ' LYS . 7.5 p80 -46.75 91.02 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 84' ' ' CYS . 44.4 mt-10 49.59 98.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.265 -0.897 . . . . 0.0 109.84 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 24.1 p90 -58.06 -24.08 57.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.253 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 58.2 m-85 -52.24 -40.51 61.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.233 -0.917 . . . . 0.0 108.854 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' GLU . 47.0 mt-10 -81.46 63.2 5.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.517 -0.739 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -67.33 71.11 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 89' ' ' GLU . 50.8 mm-40 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.539 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.512 ' H1 ' ' CD ' ' B' ' 4' ' ' GLU . 1.4 tmt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.1 p -76.69 164.02 26.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 0.0 109.036 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.88 -35.78 58.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.095 -1.003 . . . . 0.0 109.51 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -53.31 49.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 110.058 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.512 ' CD ' ' H1 ' ' B' ' 0' ' ' MET . 45.6 mt-10 -54.71 -47.4 73.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.978 -1.076 . . . . 0.0 109.004 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.79 -43.35 58.61 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.717 0.77 . . . . 0.0 109.976 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.42 -35.75 53.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.762 -0.586 . . . . 0.0 111.672 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.62 -49.29 78.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.043 -1.661 . . . . 0.0 107.76 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.14 -35.26 67.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 108.731 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -60.26 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 108.974 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.5 mp -44.79 -38.37 4.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.232 -0.918 . . . . 0.0 109.116 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.14 -38.79 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 9' ' ' ALA . 16.0 t70 -49.72 -54.85 16.41 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.714 0.769 . . . . 0.0 109.422 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.51 -35.87 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.693 -0.629 . . . . 0.0 110.709 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.339 -1.476 . . . . 0.0 108.831 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -79.8 -30.47 40.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.737 . . . . 0.0 109.721 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.74 -45.7 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.2 54.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.006 -1.059 . . . . 0.0 108.979 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.2 p -97.87 60.41 1.5 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.842 . . . . 0.0 109.878 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.95 -13.75 5.88 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.95 -30.77 71.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.444 -1.033 . . . . 0.0 108.589 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -148.37 -44.78 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.658 -1.276 . . . . 0.0 109.73 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.31 16.24 0.16 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 21' ' ' GLU . 23.4 t0 -48.45 -58.74 4.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -1.175 . . . . 0.0 108.264 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -90.01 159.84 16.66 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -111.68 46.4 1.13 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -132.69 147.65 52.33 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.36 142.12 50.29 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.81 17.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.969 -1.082 . . . . 0.0 110.019 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.518 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -58.94 -38.83 79.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.57 -42.58 99.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.422 -0.798 . . . . 0.0 110.921 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.36 -33.82 63.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.909 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.88 -42.14 97.55 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.8 -57.28 12.19 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.522 -1.362 . . . . 0.0 108.758 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.54 -38.55 54.75 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.772 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.89 -38.43 86.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -0.963 . . . . 0.0 109.295 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.424 HD11 HG22 ' B' ' 36' ' ' ILE . 48.7 mt -61.98 -36.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.768 -1.207 . . . . 0.0 109.105 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.9 m-20 -63.76 -32.18 73.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.494 -0.754 . . . . 0.0 111.921 -177.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -106.66 5.39 28.85 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.106 -0.996 . . . . 0.0 111.698 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -123.38 -27.31 4.11 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.95 -1.094 . . . . 0.0 111.073 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 mt -115.7 30.93 7.03 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.123 -0.985 . . . . 0.0 109.487 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 23.3 m -73.67 -26.69 60.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.0 110.124 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.41 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 16.6 t-80 -73.44 -50.82 19.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.911 -1.118 . . . . 0.0 109.978 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.44 -26.63 68.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -0.964 . . . . 0.0 109.716 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -23.25 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.404 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.22 -41.4 34.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.011 -1.056 . . . . 0.0 109.523 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.415 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 36.4 mt-10 -87.75 60.79 6.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.265 -0.897 . . . . 0.0 109.91 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm -119.98 101.53 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.486 -0.759 . . . . 0.0 109.088 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.675 ' HZ1' ' CE1' ' B' ' 85' ' ' HIS . 53.0 mttp -84.25 -42.06 16.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 108.968 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.19 106.41 18.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.205 -0.934 . . . . 0.0 108.819 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.11 -22.0 29.06 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.872 -1.143 . . . . 0.0 110.729 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -73.23 -23.29 60.35 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.899 -1.126 . . . . 0.0 111.217 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.404 -1.435 . . . . 0.0 108.608 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.94 -34.61 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.668 -1.27 . . . . 0.0 108.755 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.08 -44.45 87.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.393 -0.817 . . . . 0.0 109.691 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.41 -26.34 64.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.75 -57.25 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.758 -1.214 . . . . 0.0 108.45 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.47 -25.89 11.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.751 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.07 -33.65 20.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.056 -1.028 . . . . 0.0 108.866 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 m -68.22 -47.48 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.857 -1.152 . . . . 0.0 108.016 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -59.31 -57.14 14.31 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.645 -1.284 . . . . 0.0 108.385 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.09 -21.6 1.99 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.161 -0.962 . . . . 0.0 109.099 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -102.93 41.86 1.21 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.241 1.02 . . . . 0.0 109.437 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' B' ' 65' ' ' ASP . 28.2 t0 -44.02 -36.14 2.38 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.236 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.25 -10.91 0.01 OUTLIER Glycine 0 N--CA 1.494 2.518 0 O-C-N 122.002 -0.436 . . . . 0.0 112.482 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.7 p30 -106.82 -31.47 8.37 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-N 119.374 1.587 . . . . 0.0 112.273 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.73 -25.46 26.56 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 119.92 -1.738 . . . . 0.0 109.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -150.08 129.8 13.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.971 -1.311 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.94 52.54 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.246 -0.909 . . . . 0.0 108.857 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 31.1 t0 -83.33 -173.48 4.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.153 -0.967 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.514 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 30.7 t80 -74.36 -27.01 60.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.37 -42.59 92.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.147 -0.971 . . . . 0.0 108.796 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -24.87 65.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 109.208 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 26.4 t80 -76.4 -39.86 52.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.395 -0.816 . . . . 0.0 108.819 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.61 -28.1 65.65 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.493 -1.379 . . . . 0.0 108.803 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.14 -45.99 21.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.423 -1.423 . . . . 0.0 109.953 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.74 -32.53 73.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.541 -1.349 . . . . 0.0 109.04 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.564 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 21.7 t -62.77 -35.17 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 108.857 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.66 -52.01 29.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.149 -0.97 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 51.5 mtp -49.7 -38.7 34.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.293 -0.879 . . . . 0.0 110.568 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.85 -45.24 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.012 -1.055 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.7 m -69.51 -41.64 75.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.955 -1.091 . . . . 0.0 108.873 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 p -74.08 -22.74 59.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.83 -23.79 54.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.991 -1.068 . . . . 0.0 108.846 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' B' ' 86' ' ' GLU . 41.2 t -72.55 138.72 47.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.448 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.675 ' CE1' ' HZ1' ' B' ' 48' ' ' LYS . 7.6 p80 -46.71 91.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.392 -0.817 . . . . 0.0 109.987 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 84' ' ' CYS . 44.5 mt-10 49.5 98.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.522 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 24.1 p90 -58.03 -24.04 56.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 109.218 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.522 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 58.3 m-85 -52.28 -40.51 61.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.127 -0.983 . . . . 0.0 108.882 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 91' ' ' GLU . 46.9 mt-10 -81.45 63.15 5.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.487 -0.758 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -67.29 71.07 0.11 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 89' ' ' GLU . 50.8 mm-40 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.554 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -79.86 172.67 13.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.253 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.07 70.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.45 -49.15 78.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.438 -0.788 . . . . 0.0 109.548 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.41 -47.54 62.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.973 -1.08 . . . . 0.0 109.289 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.52 -44.98 56.42 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.878 0.847 . . . . 0.0 109.516 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.73 -36.88 59.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.881 -0.512 . . . . 0.0 111.012 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.91 79.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.377 -1.452 . . . . 0.0 107.748 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.04 -36.57 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.192 -0.942 . . . . 0.0 108.615 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.87 -47.37 85.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -45.73 -43.6 13.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.091 -1.006 . . . . 0.0 109.224 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.7 mp -64.64 -39.78 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 29.7 t0 -51.32 -54.07 29.83 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.545 0.688 . . . . 0.0 109.995 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.44 -45.4 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.553 -0.717 . . . . 0.0 110.725 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.32 -33.65 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.616 -1.302 . . . . 0.0 108.949 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.0 -30.88 31.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.512 -0.743 . . . . 0.0 110.078 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -53.63 -44.79 69.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 0.0 109.657 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.66 -46.86 44.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.147 -0.971 . . . . 0.0 108.814 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -99.54 57.51 1.03 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -0.794 . . . . 0.0 109.92 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.33 -13.73 6.21 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 107.794 -2.123 . . . . 0.0 107.794 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -64.02 -29.24 70.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.465 -1.021 . . . . 0.0 108.809 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 38.2 mt-10 -147.48 -46.1 0.17 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.675 -1.266 . . . . 0.0 109.944 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.75 14.84 0.13 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.7 t0 -47.98 -53.49 15.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -1.186 . . . . 0.0 108.654 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -89.59 -179.62 5.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 19.7 t-160 -131.69 43.96 2.98 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.54 150.92 49.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.691 -0.631 . . . . 0.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' CYS . 18.0 tp -121.14 143.35 49.15 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -93.04 154.89 17.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.881 -1.137 . . . . 0.0 109.755 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HG3' ' H ' ' A' ' 30' ' ' SER . 14.8 pttt -58.53 -40.97 84.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.231 -0.918 . . . . 0.0 109.908 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 60.2 m -58.62 -40.04 82.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.369 -0.832 . . . . 0.0 111.104 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.62 -35.89 44.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 108.969 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.96 -44.05 94.67 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -53.0 -57.68 9.54 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.56 -1.338 . . . . 0.0 108.523 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -51.48 -38.7 55.15 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.82 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -67.63 -38.23 83.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.206 -0.934 . . . . 0.0 109.602 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 36' ' ' ILE . 42.3 mt -59.63 -33.52 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.953 -1.092 . . . . 0.0 109.223 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -67.3 -45.73 75.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 112.045 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.53 5.1 47.0 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.862 -1.149 . . . . 0.0 111.686 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.98 -25.42 4.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.941 -1.099 . . . . 0.0 110.475 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.6 29.26 7.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.246 -0.909 . . . . 0.0 109.738 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.1 p -72.18 -53.09 13.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.585 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 41' ' ' SER . 70.4 t60 -54.88 -50.34 68.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -61.35 -29.32 69.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 109.415 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.39 -29.0 3.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.576 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -79.7 -40.39 29.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 81.8 mt-10 -84.26 57.55 4.31 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.13 -0.981 . . . . 0.0 110.656 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.57 126.3 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 4.0 mptp? -93.15 -58.45 2.31 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.444 -0.785 . . . . 0.0 109.304 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.14 108.22 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 0.0 109.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.9 -23.04 31.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.219 -0.925 . . . . 0.0 109.418 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.57 -20.58 61.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 0.0 109.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.15 -47.25 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.89 -32.47 54.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.033 -1.042 . . . . 0.0 109.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.97 90.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.402 -0.811 . . . . 0.0 110.365 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -69.58 -26.18 64.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.211 -0.931 . . . . 0.0 110.11 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -56.55 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.771 -1.206 . . . . 0.0 108.419 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.86 -25.6 12.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.325 -0.859 . . . . 0.0 109.988 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.08 -34.03 19.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.811 -1.18 . . . . 0.0 109.254 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -69.02 -48.32 63.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.865 -1.147 . . . . 0.0 108.076 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.44 -56.97 15.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.556 -1.34 . . . . 0.0 107.724 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.36 -23.3 2.27 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.288 -0.882 . . . . 0.0 109.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -102.3 40.21 1.38 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 122.103 0.954 . . . . 0.0 109.401 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' A' ' 65' ' ' ASP . 30.5 t0 -44.49 -35.87 2.69 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 121.617 0.722 . . . . 0.0 109.612 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.53 -8.3 0.01 OUTLIER Glycine 0 N--CA 1.495 2.579 0 C-N-CA 121.224 -0.512 . . . . 0.0 111.947 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' A' ' 63' ' ' ASP . 11.7 t70 -104.81 -31.24 9.4 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 119.348 1.574 . . . . 0.0 111.941 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.35 -26.83 23.14 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 119.887 -1.758 . . . . 0.0 109.387 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -146.9 129.15 15.71 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -1.175 . . . . 0.0 109.574 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 27' ' ' LEU . 4.0 m -102.61 125.76 49.45 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 109.0 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 6.9 p30 -83.62 -173.27 4.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.313 -0.867 . . . . 0.0 110.278 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -75.34 -34.23 61.18 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.78 -38.1 77.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.961 -1.087 . . . . 0.0 108.644 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.1 mm-40 -71.76 -24.47 61.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.455 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -72.43 -40.36 67.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 5.5 mmt -66.74 -54.24 24.95 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.406 -1.434 . . . . 0.0 108.457 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.55 70.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.384 -1.448 . . . . 0.0 111.209 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -69.08 -35.56 76.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.648 -1.282 . . . . 0.0 109.728 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.75 -32.54 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.82 -52.91 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.896 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.52 -39.93 36.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.48 -47.21 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.007 -1.058 . . . . 0.0 109.316 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -63.44 -41.01 98.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.235 -0.915 . . . . 0.0 108.65 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.4 p -74.34 -20.82 59.96 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.752 . . . . 0.0 109.831 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.0 50.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.968 -1.083 . . . . 0.0 108.43 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 10.2 t -73.54 142.21 46.69 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.648 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 1.8 t60 -55.95 -167.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.338 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.648 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 5.1 pt-20 -50.21 91.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 85' ' ' HIS . 2.5 p90 -56.93 -24.04 49.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.236 -0.915 . . . . 0.0 109.064 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -52.04 -40.18 60.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 109.31 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -83.64 67.14 9.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 10.8 t-80 -75.59 125.43 29.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.293 -0.879 . . . . 0.0 109.422 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.464 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' B' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -79.87 172.61 13.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 0.0 109.177 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.01 70.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 109.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.48 -49.15 78.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.436 -0.79 . . . . 0.0 109.571 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.37 -47.56 62.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.948 -1.095 . . . . 0.0 109.304 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.55 -44.94 56.69 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 109.491 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.76 -36.88 59.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.863 -0.523 . . . . 0.0 111.02 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.89 79.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.445 -1.409 . . . . 0.0 107.769 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -62.0 -36.58 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.222 -0.924 . . . . 0.0 108.619 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -58.93 -47.27 85.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.303 -0.873 . . . . 0.0 109.399 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.3 mp -45.78 -43.62 13.29 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.102 -0.998 . . . . 0.0 109.227 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' B' ' 11' ' ' ILE . 1.7 mp -64.59 -39.78 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 9' ' ' ALA . 29.9 t0 -51.39 -54.08 30.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.565 0.697 . . . . 0.0 109.991 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.4 -45.43 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.483 -0.761 . . . . 0.0 110.765 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.28 -33.64 59.11 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.575 -1.328 . . . . 0.0 108.987 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -82.08 -30.74 31.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.104 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.7 -44.76 70.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.191 -0.943 . . . . 0.0 109.684 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.64 -46.93 43.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.1 -1.0 . . . . 0.0 108.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.4 p -99.5 57.48 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.527 -0.733 . . . . 0.0 109.959 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.24 -13.78 6.24 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 107.835 -2.106 . . . . 0.0 107.835 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.94 -29.27 70.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.47 -1.018 . . . . 0.0 108.846 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 38.2 mt-10 -147.5 -45.99 0.17 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.695 -1.253 . . . . 0.0 109.98 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.71 14.85 0.13 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.7 t0 -48.03 -53.45 16.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.166 . . . . 0.0 108.654 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -89.57 -179.62 5.84 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 19.7 t-160 -131.77 43.99 2.97 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.6 150.93 49.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.691 -0.63 . . . . 0.0 109.359 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 68' ' ' CYS . 18.0 tp -121.15 143.32 49.17 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -92.99 154.86 17.9 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.873 -1.142 . . . . 0.0 109.775 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' B' ' 30' ' ' SER . 14.8 pttt -58.47 -41.02 84.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.201 -0.937 . . . . 0.0 109.948 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.414 ' H ' ' HG3' ' B' ' 29' ' ' LYS . 60.3 m -58.61 -40.04 82.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.821 . . . . 0.0 111.112 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.63 -35.93 44.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.927 -1.108 . . . . 0.0 108.952 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.88 -44.07 94.38 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -52.96 -57.72 9.38 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.573 -1.329 . . . . 0.0 108.496 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -51.52 -38.69 55.33 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.384 -0.926 . . . . 0.0 108.812 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.67 -38.23 83.47 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.178 -0.951 . . . . 0.0 109.545 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.62 -33.51 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.871 -1.143 . . . . 0.0 109.266 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.29 -45.76 75.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.257 -0.902 . . . . 0.0 112.019 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.5 5.04 47.2 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.805 -1.184 . . . . 0.0 111.733 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.95 -25.43 4.58 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.996 -1.065 . . . . 0.0 110.494 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.62 29.27 7.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.336 -0.853 . . . . 0.0 109.667 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 4.1 p -72.1 -53.15 13.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.422 ' N ' ' OG ' ' B' ' 41' ' ' SER . 70.3 t60 -54.93 -50.27 69.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.057 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -61.36 -29.38 69.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.364 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.39 -28.97 3.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.577 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -79.74 -40.4 28.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.053 -1.03 . . . . 0.0 110.381 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.441 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 81.8 mt-10 -84.29 57.58 4.33 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.213 -0.929 . . . . 0.0 110.665 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.52 126.34 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 4.0 mptp? -93.13 -58.51 2.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.763 . . . . 0.0 109.307 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.12 108.26 5.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 0.0 109.758 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.01 -22.94 31.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.72 -20.46 61.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.141 -0.974 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.18 -47.32 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.698 -1.251 . . . . 0.0 107.668 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.82 -32.48 54.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.088 -1.007 . . . . 0.0 109.496 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.99 90.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.781 . . . . 0.0 110.392 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -69.6 -26.14 64.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.076 -1.015 . . . . 0.0 110.139 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.22 -56.59 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 120.728 -1.232 . . . . 0.0 108.424 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.91 -25.57 12.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.4 -0.813 . . . . 0.0 109.976 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.02 -34.13 19.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.873 -1.142 . . . . 0.0 109.27 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.96 -48.35 63.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.865 -1.147 . . . . 0.0 108.069 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.46 -56.92 15.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.576 -1.328 . . . . 0.0 107.742 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.37 -23.31 2.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -102.17 40.18 1.38 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.105 0.955 . . . . 0.0 109.717 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.616 ' C ' ' H ' ' B' ' 65' ' ' ASP . 29.1 t0 -44.33 -35.97 2.59 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.161 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.4 -8.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.279 0 C-N-CA 121.152 -0.546 . . . . 0.0 112.13 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.616 ' H ' ' C ' ' B' ' 63' ' ' ASP . 11.8 t70 -104.74 -31.31 9.4 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 119.237 1.518 . . . . 0.0 111.934 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.45 -26.89 22.91 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 119.898 -1.751 . . . . 0.0 109.403 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -146.92 129.13 15.67 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.182 -1.187 . . . . 0.0 109.615 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' B' ' 27' ' ' LEU . 4.0 m -102.64 125.86 49.52 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.01 -1.056 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -83.72 -173.18 4.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.24 -0.912 . . . . 0.0 110.293 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.42 -34.21 60.99 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.75 -38.14 77.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 108.61 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.77 -24.52 61.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.426 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -72.47 -40.27 67.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.206 -0.934 . . . . 0.0 108.741 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 5.5 mmt -66.76 -54.2 25.26 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.399 -1.438 . . . . 0.0 108.478 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.49 70.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.362 -1.461 . . . . 0.0 111.227 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.14 -35.6 76.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.685 -1.259 . . . . 0.0 109.685 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.68 -32.5 57.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.94 -52.84 15.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.0 109.834 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.59 -39.91 36.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.216 -0.928 . . . . 0.0 110.446 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.46 -47.17 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m -63.42 -41.08 98.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.237 -0.914 . . . . 0.0 108.599 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -74.34 -20.81 59.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.552 -0.717 . . . . 0.0 109.832 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.02 -31.03 49.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.105 . . . . 0.0 108.399 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' B' ' 85' ' ' HIS . 10.3 t -73.53 142.15 46.72 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.48 -0.763 . . . . 0.0 108.961 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 1.8 t60 -55.93 -167.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.65 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 5.1 pt-20 -50.21 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 85' ' ' HIS . 2.5 p90 -57.01 -24.0 50.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 0.0 109.017 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -52.07 -40.2 60.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.316 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -83.57 67.18 9.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.427 -0.795 . . . . 0.0 109.204 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.432 ' HD1' ' C ' ' B' ' 90' ' ' HIS . 10.6 t-80 -75.65 125.39 28.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.364 -0.835 . . . . 0.0 109.397 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.465 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p -87.04 170.28 11.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 0.0 109.244 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.36 -34.09 73.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.138 -0.976 . . . . 0.0 109.386 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.7 -48.0 83.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.283 -0.886 . . . . 0.0 109.421 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.89 -43.97 49.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.076 -1.015 . . . . 0.0 109.339 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.51 -42.29 54.7 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.863 0.84 . . . . 0.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.5 57.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.792 -0.567 . . . . 0.0 111.175 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -47.06 76.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.498 -1.376 . . . . 0.0 108.038 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.48 -37.23 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.231 -0.918 . . . . 0.0 109.511 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -47.98 80.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.125 -0.984 . . . . 0.0 108.826 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -47.68 -48.46 29.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 109.093 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.21 -43.55 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.1 -50.82 47.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.581 0.705 . . . . 0.0 110.175 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.54 -46.24 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.312 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.97 -35.25 64.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.26 -1.525 . . . . 0.0 109.033 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -77.62 -31.63 52.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 0.0 110.045 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.36 74.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.911 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -71.31 -45.37 63.2 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.997 -1.064 . . . . 0.0 109.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -99.96 60.91 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.07 -13.87 6.28 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.52 -31.67 72.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -1.026 . . . . 0.0 108.86 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 53.3 mm-40 -145.04 -44.99 0.23 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.682 -1.261 . . . . 0.0 109.741 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.85 15.11 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.1 t70 -47.69 -61.43 1.94 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -1.177 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -89.79 177.97 6.37 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 30.3 p-80 -124.69 46.49 2.31 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.18 148.59 52.03 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.812 -0.555 . . . . 0.0 109.646 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 tp -124.48 140.94 52.48 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -94.31 150.58 20.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.079 -1.013 . . . . 0.0 109.997 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.05 82.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.827 . . . . 0.0 110.573 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.38 -42.29 86.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.14 -33.56 33.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.083 -1.01 . . . . 0.0 108.454 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.11 -46.01 90.94 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.42 14.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 108.806 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.56 -34.94 8.32 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.455 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.36 -41.04 81.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.928 -1.107 . . . . 0.0 109.3 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.49 -44.2 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.749 -1.219 . . . . 0.0 109.802 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.2 m-20 -58.72 -52.18 66.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -0.881 . . . . 0.0 111.125 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -88.0 1.96 52.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.232 -0.918 . . . . 0.0 111.242 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.76 -30.08 9.65 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.972 -1.08 . . . . 0.0 110.819 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.6 mt -122.99 25.44 8.56 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.314 -0.866 . . . . 0.0 109.856 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.57 -58.98 5.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.412 -0.805 . . . . 0.0 109.699 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.712 ' H ' ' HD1' ' A' ' 42' ' ' HIS . 3.7 m80 -62.49 -43.62 98.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -29.29 67.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.56 -48.27 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 0.0 109.884 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.19 -36.91 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 110.111 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.33 58.05 3.91 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.199 -0.938 . . . . 0.0 110.872 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.436 HG22 HD11 ' A' ' 47' ' ' ILE . 88.5 mt -126.37 158.57 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.292 -0.88 . . . . 0.0 108.874 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 56.4 mttp -145.61 -42.74 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.105 -0.997 . . . . 0.0 108.674 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.92 64.24 8.54 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.79 -30.05 1.53 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.416 -0.802 . . . . 0.0 110.954 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.45 -24.26 61.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.102 -0.999 . . . . 0.0 110.346 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.61 -48.81 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.39 -31.55 53.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 108.643 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.9 -47.95 84.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.462 -0.774 . . . . 0.0 109.97 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' OG1' ' A' ' 59' ' ' THR . 45.5 mttp -66.51 -27.06 67.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.009 . . . . 0.0 109.572 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.14 -56.1 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.693 -1.255 . . . . 0.0 107.895 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.22 -29.85 34.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.493 -0.754 . . . . 0.0 109.768 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -86.98 -37.53 17.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.908 -1.12 . . . . 0.0 109.215 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 13.8 m -68.01 -43.89 77.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' C ' ' N ' ' A' ' 62' ' ' GLU . 7.7 tp -64.47 -57.14 10.06 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 108.034 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.15 -19.09 0.68 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.168 -0.958 . . . . 0.0 109.023 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 60' ' ' LEU . 8.8 mm-40 -102.42 42.37 1.15 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.283 1.04 . . . . 0.0 109.002 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' A' ' 65' ' ' ASP . 24.2 p-10 -44.18 -34.79 1.96 Allowed 'General case' 0 C--N 1.274 -2.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.661 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -8.8 0.01 OUTLIER Glycine 0 N--CA 1.498 2.803 0 O-C-N 122.041 -0.412 . . . . 0.0 112.332 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' A' ' 63' ' ' ASP . 3.7 p30 -104.71 -31.45 9.35 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 119.386 1.593 . . . . 0.0 111.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 103.2 -27.3 20.63 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 119.949 -1.719 . . . . 0.0 109.369 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.49 130.95 16.69 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.179 -1.189 . . . . 0.0 109.543 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 m -107.9 127.81 54.06 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.128 -0.982 . . . . 0.0 109.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 14.6 t70 -83.79 -172.24 4.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.254 -0.903 . . . . 0.0 109.885 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.475 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 24.1 t80 -73.24 -37.41 66.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.372 -0.83 . . . . 0.0 108.838 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.925 -1.109 . . . . 0.0 108.995 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.91 -24.79 60.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.164 -0.96 . . . . 0.0 109.978 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -76.15 -39.91 53.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.201 -0.937 . . . . 0.0 109.378 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.15 -28.86 65.69 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.44 -1.413 . . . . 0.0 109.318 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.15 -56.58 4.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.258 -1.527 . . . . 0.0 110.775 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.75 -32.6 65.75 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.541 -1.349 . . . . 0.0 109.575 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.0 t -69.94 -32.86 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.639 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 82' ' ' THR . 23.0 t -69.14 -48.18 63.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.123 -0.985 . . . . 0.0 110.261 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.3 mtt -54.21 -53.03 59.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.842 -1.161 . . . . 0.0 110.082 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.6 -48.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.286 -0.884 . . . . 0.0 109.567 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.49 ' H ' ' HG1' ' A' ' 81' ' ' THR . 3.0 p -68.1 -40.13 82.68 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.076 -1.015 . . . . 0.0 108.576 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 78' ' ' SER . 7.2 m -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -54.29 -46.09 72.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.915 . . . . 0.0 108.992 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 85' ' ' HIS . 30.3 p -74.47 55.13 0.62 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.562 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 47.8 t-80 -48.5 176.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.394 -0.816 . . . . 0.0 109.971 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.562 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 36.6 tt0 58.19 23.68 10.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 109.46 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 14.9 p90 -65.64 -24.73 67.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.993 -1.067 . . . . 0.0 109.374 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.585 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 27.2 m-85 -51.07 -39.05 55.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.174 -0.954 . . . . 0.0 108.961 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 89' ' ' GLU . 30.5 mp0 -85.43 60.67 6.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.429 -0.794 . . . . 0.0 109.412 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 91' ' ' GLU . 56.4 t-80 -70.92 107.16 3.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.18 -0.95 . . . . 0.0 109.283 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 12.0 pt-20 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.401 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.558 ' N ' ' SD ' ' B' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -87.05 170.27 11.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.163 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.33 -34.09 73.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.39 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.71 -48.06 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.402 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.9 -43.91 49.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 0.0 109.316 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.58 -42.26 55.46 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.845 0.831 . . . . 0.0 109.761 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.36 -29.49 57.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.783 -0.573 . . . . 0.0 111.2 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -46.98 76.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.512 -1.368 . . . . 0.0 108.13 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.56 -37.17 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.493 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.94 80.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.995 . . . . 0.0 108.847 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -47.74 -48.44 29.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 0.0 109.026 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.33 -43.48 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.08 -50.82 46.81 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.544 0.688 . . . . 0.0 110.167 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.59 -46.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.535 -0.728 . . . . 0.0 111.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -54.95 -35.31 64.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.215 -1.553 . . . . 0.0 108.984 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -77.6 -31.68 53.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.5 -0.75 . . . . 0.0 110.016 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.4 74.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.824 . . . . 0.0 109.937 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -71.21 -45.43 63.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.07 . . . . 0.0 109.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -99.99 60.89 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.359 -0.838 . . . . 0.0 110.167 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.02 -13.88 6.31 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.874 -2.09 . . . . 0.0 107.874 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.55 -31.58 72.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.511 -0.993 . . . . 0.0 108.93 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 53.4 mm-40 -145.04 -45.06 0.23 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.646 -1.284 . . . . 0.0 109.762 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.92 15.03 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 11.1 t70 -47.6 -61.53 1.88 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.24 -1.153 . . . . 0.0 108.599 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -89.73 178.04 6.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 30.4 p-80 -124.73 46.45 2.32 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.1 148.61 51.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.81 -0.556 . . . . 0.0 109.618 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' B' ' 68' ' ' CYS . 19.3 tp -124.5 140.94 52.47 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -94.29 150.53 20.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.993 -1.067 . . . . 0.0 110.021 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.1 82.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.35 -42.28 86.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.13 -33.56 33.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.022 . . . . 0.0 108.463 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.1 -46.07 90.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.38 14.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.485 -1.384 . . . . 0.0 108.847 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.57 -34.94 8.37 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.448 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.34 -41.09 81.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 109.291 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.55 -44.16 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.799 -1.188 . . . . 0.0 109.749 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m-20 -58.74 -52.24 66.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 111.02 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -87.93 1.96 52.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.238 -0.914 . . . . 0.0 111.282 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.78 -30.07 9.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.963 -1.086 . . . . 0.0 110.837 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 66.5 mt -123.04 25.44 8.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.35 -0.844 . . . . 0.0 109.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -55.58 -59.04 5.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.838 . . . . 0.0 109.656 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.7 ' H ' ' HD1' ' B' ' 42' ' ' HIS . 3.7 m80 -62.45 -43.58 98.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.087 -1.008 . . . . 0.0 109.741 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -29.29 67.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.882 . . . . 0.0 109.09 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.52 -48.31 27.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.517 -0.74 . . . . 0.0 109.889 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.11 -36.95 61.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.95 -1.094 . . . . 0.0 110.146 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.34 58.06 3.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.166 -0.959 . . . . 0.0 110.898 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -126.31 158.57 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.31 -0.868 . . . . 0.0 108.92 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -145.64 -42.82 0.22 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.183 -0.948 . . . . 0.0 108.634 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.88 64.2 8.49 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.71 -30.08 1.48 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 111.005 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.43 -24.26 62.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.991 -1.068 . . . . 0.0 110.313 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.68 -48.72 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.44 -31.51 53.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.065 -1.022 . . . . 0.0 108.637 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.97 -47.92 84.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' B' ' 59' ' ' THR . 45.5 mttp -66.46 -27.09 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.027 . . . . 0.0 109.601 -179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.14 -56.11 18.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 120.696 -1.253 . . . . 0.0 107.885 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.25 -29.83 34.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.751 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -86.92 -37.58 17.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.927 -1.108 . . . . 0.0 109.228 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 13.8 m -68.01 -43.9 77.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' B' ' 62' ' ' GLU . 7.8 tp -64.5 -57.16 9.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.794 -1.191 . . . . 0.0 107.999 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.06 -19.05 0.65 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.159 -0.963 . . . . 0.0 109.082 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 60' ' ' LEU . 8.8 mm-40 -102.53 42.49 1.14 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 122.327 1.06 . . . . 0.0 109.188 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.599 ' C ' ' H ' ' B' ' 65' ' ' ASP . 24.0 p-10 -44.05 -34.94 1.91 Allowed 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.341 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' B' ' 63' ' ' ASP . . . 51.09 -8.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 C-N-CA 121.44 -0.41 . . . . 0.0 112.526 178.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' B' ' 63' ' ' ASP . 3.6 p30 -104.71 -31.49 9.33 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.288 1.544 . . . . 0.0 111.973 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 103.29 -27.35 20.35 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.919 -1.738 . . . . 0.0 109.333 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.46 130.95 16.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.147 -1.208 . . . . 0.0 109.543 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 27' ' ' LEU . 7.0 m -107.87 127.76 54.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 109.483 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 14.6 t70 -83.75 -172.28 4.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.206 -0.934 . . . . 0.0 109.914 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.476 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 24.2 t80 -73.25 -37.38 66.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.384 -0.822 . . . . 0.0 108.812 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.897 -1.127 . . . . 0.0 108.965 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -72.91 -24.82 60.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 109.936 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -76.19 -39.96 53.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.185 -0.947 . . . . 0.0 109.36 178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.09 -28.88 65.77 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.431 -1.418 . . . . 0.0 109.324 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.07 -56.67 4.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.213 -1.554 . . . . 0.0 110.816 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.79 -32.5 65.74 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.548 -1.345 . . . . 0.0 109.625 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.95 -32.84 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.0 109.642 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.418 ' O ' ' OG1' ' B' ' 82' ' ' THR . 23.0 t -69.23 -48.15 62.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.02 . . . . 0.0 110.238 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.2 mtt -54.13 -53.1 57.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.871 -1.143 . . . . 0.0 110.121 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.67 -48.35 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.474 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.454 ' H ' ' HG1' ' B' ' 81' ' ' THR . 3.0 p -68.04 -40.15 82.92 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.066 -1.021 . . . . 0.0 108.599 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 78' ' ' SER . 7.2 m -72.17 -19.62 61.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.426 -0.796 . . . . 0.0 109.252 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -54.29 -46.08 72.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.97 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' B' ' 85' ' ' HIS . 30.4 p -74.45 55.08 0.61 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.312 -0.867 . . . . 0.0 108.78 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.569 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 47.8 t-80 -48.5 176.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.472 -0.768 . . . . 0.0 109.965 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.569 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 36.6 tt0 58.09 23.76 10.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.41 -0.806 . . . . 0.0 109.457 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.587 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 15.0 p90 -65.64 -24.73 67.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.082 . . . . 0.0 109.38 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.587 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 27.0 m-85 -51.02 -39.05 54.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.999 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' B' ' 89' ' ' GLU . 30.5 mp0 -85.4 60.57 6.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.479 -0.763 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' B' ' 91' ' ' GLU . 56.4 t-80 -70.85 107.12 3.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.168 -0.957 . . . . 0.0 109.303 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.482 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 12.0 pt-20 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.418 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.0 ptt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p -62.46 167.85 4.0 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.05 -1.031 . . . . 0.0 108.949 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.57 -33.2 67.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.172 -0.955 . . . . 0.0 109.811 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.68 -43.9 95.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.46 -48.16 66.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.825 -1.172 . . . . 0.0 108.987 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.1 -42.5 50.38 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.721 0.772 . . . . 0.0 110.128 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.82 55.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.631 -0.668 . . . . 0.0 111.133 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.56 -48.21 80.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.418 -1.426 . . . . 0.0 107.955 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.88 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.3 -0.875 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.99 -48.07 81.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 108.363 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mt -46.14 -40.92 11.8 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.259 -0.901 . . . . 0.0 108.977 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.47 -40.94 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.2 t70 -49.86 -52.4 32.95 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.689 0.757 . . . . 0.0 109.865 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.8 t -76.72 -34.18 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.572 -0.705 . . . . 0.0 111.297 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.66 -35.52 81.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.324 -1.485 . . . . 0.0 109.323 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.05 -31.28 39.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 0.0 109.874 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -53.8 -45.19 70.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.392 -0.817 . . . . 0.0 109.542 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -72.86 -48.04 40.95 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.151 -0.968 . . . . 0.0 109.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -98.12 60.45 1.44 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.314 -0.866 . . . . 0.0 109.805 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.27 -11.94 7.15 Favored Glycine 0 N--CA 1.503 3.142 0 N-CA-C 108.119 -1.993 . . . . 0.0 108.119 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -63.7 -30.49 71.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.495 -1.003 . . . . 0.0 109.092 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 39.1 mt-10 -147.91 -44.93 0.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.665 -1.272 . . . . 0.0 110.012 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.48 14.12 0.18 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 46.1 t0 -47.56 -58.97 3.6 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -1.147 . . . . 0.0 108.459 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.97 176.42 7.66 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.12 46.08 2.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -132.57 149.57 52.29 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.264 0.554 . . . . 0.0 109.994 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 68' ' ' CYS . 19.1 tp -126.25 144.54 50.75 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -94.29 157.45 16.04 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.026 -1.046 . . . . 0.0 110.241 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' H ' ' A' ' 30' ' ' SER . 5.2 pttp -60.6 -40.09 90.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.336 -0.852 . . . . 0.0 110.218 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 83.3 p -58.56 -40.84 84.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.855 . . . . 0.0 111.035 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' N ' ' HG ' ' A' ' 30' ' ' SER . 42.5 mt-10 -77.72 -41.26 38.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.99 -1.069 . . . . 0.0 108.868 -179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.16 -44.33 75.08 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' NZ ' ' CE ' ' A' ' 57' ' ' MET . 59.2 tttp -51.07 -55.96 14.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.404 -1.435 . . . . 0.0 108.972 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.33 -35.4 12.32 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.564 -0.855 . . . . 0.0 109.924 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.74 -43.83 79.01 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.659 -1.276 . . . . 0.0 109.36 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 mt -54.67 -35.76 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.706 -1.246 . . . . 0.0 109.793 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.06 -35.75 80.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.888 . . . . 0.0 111.755 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.62 -19.88 14.64 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.969 -1.082 . . . . 0.0 111.487 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -101.03 -26.38 13.73 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.847 -1.158 . . . . 0.0 110.255 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -116.11 26.14 10.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.331 -0.855 . . . . 0.0 109.247 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.7 p -67.38 -51.63 49.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.864 . . . . 0.0 109.785 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.403 ' N ' ' OG ' ' A' ' 41' ' ' SER . 76.5 t60 -53.84 -40.54 66.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.126 -0.984 . . . . 0.0 110.019 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.96 -29.71 64.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.002 -1.062 . . . . 0.0 109.635 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -25.88 6.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.186 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.6 37.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.005 -1.059 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.08 60.36 6.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.026 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -120.39 110.84 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.442 -0.786 . . . . 0.0 109.339 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 12.2 mptt -93.35 -49.65 5.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.197 -0.94 . . . . 0.0 109.147 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' GLU . 20.5 mt-10 -82.58 67.99 8.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.515 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -45.89 -21.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' GLU . 33.7 mt-10 -75.38 -23.35 57.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.247 -0.908 . . . . 0.0 110.073 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.25 -49.35 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.664 -1.272 . . . . 0.0 107.864 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.75 -33.75 63.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.971 -1.081 . . . . 0.0 108.693 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -58.66 -45.88 88.39 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.501 -0.75 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.75 -26.53 65.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.872 . . . . 0.0 109.783 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.02 -56.74 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.776 -1.203 . . . . 0.0 108.297 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.509 ' CE ' ' NZ ' ' A' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.39 39.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.489 -0.757 . . . . 0.0 110.127 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -85.6 -35.32 21.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.986 -1.072 . . . . 0.0 109.224 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.8 m -68.91 -43.88 74.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.678 -1.264 . . . . 0.0 108.123 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.14 -56.91 16.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.613 -1.305 . . . . 0.0 108.028 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.8 -21.16 1.03 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.042 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -102.97 40.63 1.35 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.099 0.952 . . . . 0.0 109.388 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.61 ' C ' ' H ' ' A' ' 65' ' ' ASP . 11.8 p-10 -44.54 -35.33 2.48 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-O 121.659 0.742 . . . . 0.0 109.724 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.12 -6.25 0.01 OUTLIER Glycine 0 N--CA 1.495 2.592 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.813 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 63' ' ' ASP . 31.4 t70 -106.24 -31.32 8.7 Favored 'General case' 0 N--CA 1.514 2.746 0 CA-C-N 119.188 1.494 . . . . 0.0 112.196 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.2 -26.59 23.75 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 119.816 -1.803 . . . . 0.0 109.308 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.87 130.38 14.85 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.148 -1.207 . . . . 0.0 109.559 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.529 ' N ' ' O ' ' A' ' 27' ' ' LEU . 2.7 m -104.09 127.01 51.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.068 -1.02 . . . . 0.0 109.493 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.49 -172.06 3.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 110.282 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -74.94 -25.81 59.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.532 -0.73 . . . . 0.0 109.19 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.42 -36.99 85.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.836 -1.165 . . . . 0.0 108.737 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -70.62 -22.77 62.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.134 -0.979 . . . . 0.0 109.655 179.515 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 71.3 t80 -74.73 -41.16 60.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.06 -1.025 . . . . 0.0 109.629 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.4 -52.82 28.73 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.294 -1.504 . . . . 0.0 109.039 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.43 73.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.289 -1.507 . . . . 0.0 111.765 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -66.03 -34.05 77.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.448 -1.407 . . . . 0.0 109.886 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 40.7 t -68.29 -33.35 60.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 82' ' ' THR . 26.1 p -69.32 -53.39 19.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -0.941 . . . . 0.0 109.523 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.42 -38.39 28.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.034 -1.041 . . . . 0.0 110.129 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.29 -58.3 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.904 -1.122 . . . . 0.0 109.419 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -57.64 -38.97 75.95 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' SER . 6.5 m -74.4 -20.03 60.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.619 -0.676 . . . . 0.0 109.559 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.94 61.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.055 -1.028 . . . . 0.0 108.76 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' HIS . 42.3 t -75.5 56.22 0.86 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.464 -0.772 . . . . 0.0 109.13 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 84' ' ' CYS . 3.0 p80 -46.43 169.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.235 -0.915 . . . . 0.0 109.646 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 60.14 22.3 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.261 -0.9 . . . . 0.0 109.454 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 12.0 p90 -62.62 -24.99 67.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.972 . . . . 0.0 109.544 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.629 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 4.7 m-85 -51.53 -29.89 18.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.143 -0.973 . . . . 0.0 109.067 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' A' ' 91' ' ' GLU . 46.7 mt-10 -91.91 59.03 3.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.348 -0.845 . . . . 0.0 109.447 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -70.02 38.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.333 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p -62.45 167.87 3.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.109 -0.994 . . . . 0.0 108.832 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.61 -33.16 67.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.17 -0.956 . . . . 0.0 109.745 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.75 -43.84 95.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 109.421 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.44 -48.25 65.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 108.911 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.03 -42.55 49.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.72 0.771 . . . . 0.0 110.142 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.81 55.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.617 -0.677 . . . . 0.0 111.125 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.61 -48.18 80.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.43 -1.419 . . . . 0.0 107.934 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.84 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.289 -0.882 . . . . 0.0 109.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.0 -48.08 81.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.005 -1.059 . . . . 0.0 108.403 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.2 mt -46.03 -41.01 11.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 109.044 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.46 -40.93 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 9' ' ' ALA . 10.1 t70 -49.77 -52.44 31.84 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.663 0.744 . . . . 0.0 109.904 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.7 -34.17 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.658 -0.651 . . . . 0.0 111.323 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.68 -35.56 81.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.254 -1.529 . . . . 0.0 109.302 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.03 -31.26 39.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.903 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -53.86 -45.09 70.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.575 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -72.91 -48.01 40.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.154 -0.966 . . . . 0.0 109.029 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 75.7 m -98.19 60.47 1.42 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.365 -0.834 . . . . 0.0 109.827 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 -11.99 7.11 Favored Glycine 0 N--CA 1.502 3.075 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -63.64 -30.45 71.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -1.005 . . . . 0.0 109.096 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 39.2 mt-10 -147.93 -45.02 0.16 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.543 -1.348 . . . . 0.0 110.077 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.51 14.14 0.19 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 46.2 t0 -47.58 -59.02 3.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -1.167 . . . . 0.0 108.439 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.98 176.5 7.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -125.18 46.15 2.42 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -132.61 149.53 52.29 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.263 0.554 . . . . 0.0 110.014 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' B' ' 68' ' ' CYS . 19.2 tp -126.22 144.57 50.72 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -94.3 157.35 16.08 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.99 -1.069 . . . . 0.0 110.252 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' B' ' 30' ' ' SER . 5.3 pttp -60.54 -40.08 90.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.478 ' HG ' ' N ' ' B' ' 31' ' ' GLU . 83.4 p -58.57 -40.81 84.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 110.998 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.478 ' N ' ' HG ' ' B' ' 30' ' ' SER . 42.5 mt-10 -77.79 -41.2 38.2 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.852 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.17 -44.33 75.11 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' NZ ' ' CE ' ' B' ' 57' ' ' MET . 59.2 tttp -51.11 -55.86 15.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.432 -1.418 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.39 -35.41 12.58 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.897 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.72 -43.85 79.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.631 -1.293 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.66 -35.77 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 120.706 -1.246 . . . . 0.0 109.79 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.09 -35.75 80.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.892 . . . . 0.0 111.764 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -102.55 -19.9 14.68 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.005 -1.06 . . . . 0.0 111.496 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -100.99 -26.43 13.73 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.804 -1.185 . . . . 0.0 110.319 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -116.08 26.17 10.15 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.276 -0.89 . . . . 0.0 109.256 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -67.36 -51.61 50.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.848 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.9 -40.48 66.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.012 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -72.06 -29.69 64.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.037 -1.04 . . . . 0.0 109.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.32 -25.85 6.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.61 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.067 -1.021 . . . . 0.0 109.981 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -86.1 60.39 6.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.207 -0.933 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.3 mm -120.39 110.83 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.458 -0.776 . . . . 0.0 109.334 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 12.2 mptt -93.38 -49.63 5.84 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.118 -0.989 . . . . 0.0 109.129 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 51' ' ' GLU . 20.5 mt-10 -82.56 67.94 8.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.555 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -45.94 -21.66 0.15 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.235 -0.916 . . . . 0.0 109.824 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 49' ' ' GLU . 33.9 mt-10 -75.42 -23.27 56.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.25 -49.46 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.684 -1.26 . . . . 0.0 107.809 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.74 -33.75 63.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.042 -1.036 . . . . 0.0 108.642 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.66 -45.86 88.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.552 -0.717 . . . . 0.0 109.742 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.79 -26.5 65.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 109.784 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.01 -56.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.767 -1.208 . . . . 0.0 108.25 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.519 ' CE ' ' NZ ' ' B' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.43 39.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.43 -0.794 . . . . 0.0 110.054 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -85.67 -35.23 21.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.016 -1.053 . . . . 0.0 109.223 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -68.98 -43.82 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.671 -1.268 . . . . 0.0 108.144 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.21 -56.82 17.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.669 -1.269 . . . . 0.0 107.979 177.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.86 -21.1 1.04 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 109.055 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -102.87 40.61 1.35 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.138 0.971 . . . . 0.0 109.783 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 65' ' ' ASP . 11.7 p-10 -44.46 -35.37 2.43 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 121.595 0.712 . . . . 0.0 109.257 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.05 -6.5 0.01 OUTLIER Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.0 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' B' ' 63' ' ' ASP . 31.4 t70 -106.13 -31.26 8.78 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.097 1.448 . . . . 0.0 112.264 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.23 -26.63 23.57 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 119.736 -1.852 . . . . 0.0 109.312 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.81 130.44 14.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.173 -1.192 . . . . 0.0 109.489 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' B' ' 27' ' ' LEU . 2.7 m -104.12 127.07 51.68 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.54 -172.1 3.95 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.138 -0.976 . . . . 0.0 110.273 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.87 -25.83 59.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.467 -0.771 . . . . 0.0 109.222 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.44 -36.96 85.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.81 -1.181 . . . . 0.0 108.699 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 0.5 OUTLIER -70.6 -22.84 62.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.644 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.408 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 71.4 t80 -74.62 -41.34 60.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.057 -1.027 . . . . 0.0 109.615 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.29 -52.86 28.94 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.289 -1.507 . . . . 0.0 109.029 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.209 -1.557 . . . . 0.0 111.755 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -65.99 -34.06 77.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.434 -1.417 . . . . 0.0 109.907 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 40.8 t -68.25 -33.32 59.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 108.775 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.488 ' O ' ' N ' ' B' ' 82' ' ' THR . 26.2 p -69.38 -53.31 20.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 109.59 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.41 -38.39 28.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.992 -1.067 . . . . 0.0 110.179 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.33 -58.31 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.942 -1.099 . . . . 0.0 109.365 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -57.68 -38.91 75.96 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.488 ' N ' ' O ' ' B' ' 78' ' ' SER . 6.5 m -74.38 -20.09 60.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.613 -0.679 . . . . 0.0 109.557 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.07 -45.91 61.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.969 -1.082 . . . . 0.0 108.83 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' B' ' 85' ' ' HIS . 42.5 t -75.53 56.33 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 109.123 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' B' ' 84' ' ' CYS . 3.0 p80 -46.46 169.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.863 . . . . 0.0 109.608 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 60.09 22.36 11.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 12.0 p90 -62.57 -24.95 67.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.585 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 4.7 m-85 -51.6 -29.89 19.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 109.087 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' B' ' 91' ' ' GLU . 46.7 mt-10 -91.85 59.0 3.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.855 . . . . 0.0 109.49 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -70.04 38.69 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' B' ' 89' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.087 -1.008 . . . . 0.0 109.341 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.532 ' N ' ' SD ' ' A' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p -90.54 168.62 11.68 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.102 -0.999 . . . . 0.0 109.456 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.83 -37.69 74.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 109.774 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -39.97 92.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.086 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 0' ' ' MET . 73.1 tt0 -56.44 -48.39 77.12 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.284 -0.885 . . . . 0.0 109.218 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -47.97 -42.03 26.63 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.83 0.824 . . . . 0.0 109.364 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.12 -32.07 44.4 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.876 -0.515 . . . . 0.0 111.074 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.38 -40.57 86.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.449 -1.407 . . . . 0.0 108.484 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.98 -35.14 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.92 75.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.845 . . . . 0.0 109.674 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.52 -55.85 16.71 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.992 0.901 . . . . 0.0 109.798 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.17 -37.58 50.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.96 -36.4 75.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.809 -1.182 . . . . 0.0 110.477 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.8 t -71.9 -35.64 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.502 -1.374 . . . . 0.0 109.313 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.5 -34.03 76.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 108.19 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.11 -30.12 60.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.26 -43.8 74.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.428 -0.795 . . . . 0.0 110.078 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.93 -46.84 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.46 60.73 1.36 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.297 -0.877 . . . . 0.0 109.974 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.56 -13.54 6.74 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.9 -29.93 71.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.525 -0.985 . . . . 0.0 108.953 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 80.7 mt-10 -148.54 -45.25 0.15 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.667 -1.271 . . . . 0.0 109.967 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.28 12.62 0.19 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 22.1 m-20 -49.13 -53.91 18.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -1.226 . . . . 0.0 108.226 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.47 178.36 5.97 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 26.5 p80 -128.28 47.16 2.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.35 152.2 51.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 109.865 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 68' ' ' CYS . 11.2 tp -126.63 143.42 51.23 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 155.9 16.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.051 -1.031 . . . . 0.0 110.226 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.74 -37.45 81.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.979 179.125 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.401 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 41.0 t -60.2 -41.84 93.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 110.758 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -79.4 -33.9 42.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.964 -1.085 . . . . 0.0 108.731 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.94 -45.94 90.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.34 -56.76 12.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.69 -1.256 . . . . 0.0 108.76 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.02 -35.32 10.83 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.546 -0.862 . . . . 0.0 108.758 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -67.5 -41.98 83.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.117 -0.99 . . . . 0.0 108.505 179.055 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.7 -35.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.687 -1.258 . . . . 0.0 109.362 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' C ' HD21 ' A' ' 38' ' ' ASN . 9.2 m120 -65.84 -33.52 76.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 0.0 110.89 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.531 ' N ' HD21 ' A' ' 38' ' ' ASN . 1.0 OUTLIER -112.33 -8.39 13.93 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.346 -0.846 . . . . 0.0 110.627 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.8 tp10 -92.38 -31.68 15.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.86 -1.15 . . . . 0.0 110.468 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -126.96 37.33 4.3 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.405 -0.81 . . . . 0.0 109.571 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.66 -28.23 63.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.365 -0.834 . . . . 0.0 110.217 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.49 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.32 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.055 -1.028 . . . . 0.0 109.936 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.81 -20.81 65.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.199 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.93 -45.73 31.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.0 109.522 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.72 -37.21 83.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.95 . . . . 0.0 110.067 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 78.5 mm-40 -88.94 62.37 6.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 110.534 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.57 116.49 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.395 -0.815 . . . . 0.0 109.036 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.29 -57.13 2.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.149 -0.97 . . . . 0.0 109.708 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.77 107.63 13.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.29 -21.28 36.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.051 -1.031 . . . . 0.0 110.301 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.99 -23.79 61.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.019 -1.051 . . . . 0.0 110.736 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.43 -48.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.494 -1.379 . . . . 0.0 108.003 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.57 -33.19 60.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 120.931 -1.105 . . . . 0.0 108.774 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.41 -46.72 87.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 59' ' ' THR . 32.7 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.922 . . . . 0.0 109.839 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.45 -56.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.601 -1.312 . . . . 0.0 107.657 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.02 -27.47 13.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.294 -0.879 . . . . 0.0 109.359 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.89 -34.52 19.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 108.737 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 6.6 m -67.37 -46.26 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.9 mt -61.6 -56.72 16.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.638 -1.289 . . . . 0.0 108.371 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.33 -23.63 9.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.577 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.95 40.77 1.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.294 1.045 . . . . 0.0 109.057 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.63 ' C ' ' H ' ' A' ' 65' ' ' ASP . 17.8 p-10 -44.68 -33.84 1.99 Allowed 'General case' 0 C--N 1.274 -2.698 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.64 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.99 -8.6 0.01 OUTLIER Glycine 0 N--CA 1.497 2.735 0 C-N-CA 121.378 -0.439 . . . . 0.0 112.105 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.63 ' H ' ' C ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.37 8.27 Favored 'General case' 0 N--CA 1.512 2.67 0 CA-C-N 119.164 1.482 . . . . 0.0 112.174 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.58 -25.62 25.18 Favored Glycine 0 N--CA 1.502 3.035 0 O-C-N 119.828 -1.795 . . . . 0.0 109.132 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.0 130.71 15.99 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.242 -1.152 . . . . 0.0 109.44 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' LEU . 6.8 m -101.8 125.2 48.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.038 -1.039 . . . . 0.0 109.138 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.407 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 40.1 t0 -82.17 -175.92 5.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.244 -0.91 . . . . 0.0 109.736 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.407 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 24.7 t80 -75.32 -30.36 60.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 108.863 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -61.99 -37.13 83.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.072 -1.017 . . . . 0.0 108.852 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 33.3 mt-10 -72.68 -24.68 61.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.201 -0.937 . . . . 0.0 109.875 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.7 t80 -74.14 -42.08 60.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.445 -0.784 . . . . 0.0 109.289 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.18 -48.23 79.27 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.289 -1.507 . . . . 0.0 107.769 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.26 -42.79 63.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.319 -1.488 . . . . 0.0 110.719 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 72' ' ' GLU . 43.4 m-85 -69.82 -32.45 70.89 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.389 -1.445 . . . . 0.0 109.52 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.55 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 55.2 t -67.81 -35.4 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.473 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' MET . 14.2 p -70.98 -54.28 11.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.125 -0.984 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.413 ' O ' ' OG1' ' A' ' 82' ' ' THR . 23.8 mtm -53.35 -51.53 62.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.098 -1.002 . . . . 0.0 110.504 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.87 -43.7 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.62 80.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.936 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 79' ' ' MET . 8.6 p -57.06 -51.03 70.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.979 . . . . 0.0 109.583 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -30.41 45.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 109.503 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 39.6 t -77.04 106.89 9.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.204 -0.935 . . . . 0.0 109.269 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.508 ' H ' ' HD1' ' A' ' 85' ' ' HIS . 14.8 p-80 -61.17 -147.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.558 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 59.23 10.29 1.66 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.119 -0.988 . . . . 0.0 109.072 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -71.15 -59.41 2.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.952 . . . . 0.0 109.426 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -98.71 -42.08 7.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.879 . . . . 0.0 109.08 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -86.72 65.59 9.08 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -74.98 85.44 2.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.21 -0.931 . . . . 0.0 109.146 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.472 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.538 ' N ' ' SD ' ' B' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p -90.57 168.66 11.64 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.174 -0.954 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.87 -37.72 74.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.11 -39.92 91.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.26 -0.9 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' B' ' 0' ' ' MET . 73.3 tt0 -56.54 -48.31 77.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.364 -0.835 . . . . 0.0 109.256 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -47.98 -42.02 26.72 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.843 0.83 . . . . 0.0 109.371 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.17 -32.04 44.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.855 -0.528 . . . . 0.0 111.077 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.39 -40.56 86.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.407 -1.433 . . . . 0.0 108.475 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.99 -35.12 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.9 . . . . 0.0 109.328 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.0 75.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.298 -0.876 . . . . 0.0 109.689 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.49 -55.92 16.21 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.014 0.911 . . . . 0.0 109.781 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -56.05 -37.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.596 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.98 -36.42 75.17 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.784 -1.197 . . . . 0.0 110.47 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.9 t -71.8 -35.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.467 -1.396 . . . . 0.0 109.308 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -62.48 -34.01 76.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.81 -1.181 . . . . 0.0 108.171 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.16 -30.16 60.65 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.488 -0.758 . . . . 0.0 109.489 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.31 -43.75 75.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.469 -0.769 . . . . 0.0 110.039 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.91 -46.87 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.063 -1.023 . . . . 0.0 109.38 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.42 60.66 1.37 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.28 -0.888 . . . . 0.0 110.0 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.53 -13.5 6.78 Favored Glycine 0 N--CA 1.502 3.066 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.93 -29.88 71.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.518 -0.99 . . . . 0.0 109.005 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' B' ' 23' ' ' ASP . 80.7 mt-10 -148.55 -45.24 0.15 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.637 -1.29 . . . . 0.0 109.968 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.24 12.64 0.18 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' B' ' 21' ' ' GLU . 22.0 m-20 -49.1 -53.9 18.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -1.233 . . . . 0.0 108.268 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.52 178.36 5.96 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 26.5 p80 -128.27 47.21 2.46 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.34 152.15 51.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.65 -0.656 . . . . 0.0 109.877 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 68' ' ' CYS . 11.2 tp -126.54 143.39 51.22 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -95.67 155.91 16.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.047 -1.033 . . . . 0.0 110.11 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.517 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -60.77 -37.4 81.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 110.004 179.126 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.421 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 40.8 t -60.26 -41.8 94.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -79.42 -33.9 42.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.143 . . . . 0.0 108.703 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.99 -45.98 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.16 -56.83 12.04 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.678 -1.264 . . . . 0.0 108.784 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.0 -35.35 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.747 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -67.43 -41.99 83.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 108.56 179.016 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.75 -35.51 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.763 -1.21 . . . . 0.0 109.273 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.461 ' C ' HD21 ' B' ' 38' ' ' ASN . 9.2 m120 -65.76 -33.58 76.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 110.954 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.528 HD21 ' N ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -112.35 -8.3 13.93 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.326 -0.859 . . . . 0.0 110.612 -178.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.8 tp10 -92.41 -31.65 15.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.854 -1.154 . . . . 0.0 110.464 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 mt -126.93 37.35 4.3 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.432 -0.793 . . . . 0.0 109.562 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.68 -28.19 63.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.4 15.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.066 -1.021 . . . . 0.0 109.892 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.79 -20.81 65.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.187 -0.946 . . . . 0.0 109.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -45.78 30.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.463 -0.773 . . . . 0.0 109.509 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.68 -37.29 83.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.045 -1.034 . . . . 0.0 110.03 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.47 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 78.4 mm-40 -88.87 62.32 6.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.235 -0.916 . . . . 0.0 110.559 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.53 116.45 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.393 -0.817 . . . . 0.0 109.058 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.26 -57.11 2.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.17 -0.956 . . . . 0.0 109.74 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.83 107.67 13.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.31 -21.27 36.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.023 -1.048 . . . . 0.0 110.311 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.99 -23.8 61.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.058 -1.026 . . . . 0.0 110.784 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 77.4 t -75.4 -48.77 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.48 -1.388 . . . . 0.0 107.989 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.63 -33.19 60.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.845 -1.16 . . . . 0.0 108.722 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.43 -46.76 87.83 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.345 -0.847 . . . . 0.0 109.606 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' B' ' 59' ' ' THR . 32.6 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.825 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.42 -56.28 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.612 -1.305 . . . . 0.0 107.689 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.08 -27.5 14.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.271 -0.893 . . . . 0.0 109.354 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.82 -34.58 19.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.002 -1.061 . . . . 0.0 108.776 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 6.6 m -67.42 -46.21 73.84 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.6 -56.67 17.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.666 -1.271 . . . . 0.0 108.423 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.31 -23.66 9.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.261 -0.9 . . . . 0.0 109.563 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.99 40.93 1.19 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.364 1.078 . . . . 0.0 109.408 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.605 ' C ' ' H ' ' B' ' 65' ' ' ASP . 17.8 p-10 -44.58 -33.98 1.97 Allowed 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.265 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.9 -8.64 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.206 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.605 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.41 8.25 Favored 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 119.084 1.442 . . . . 0.0 112.123 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.73 -25.65 24.93 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 119.896 -1.752 . . . . 0.0 109.101 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -147.97 130.68 15.99 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.161 -1.2 . . . . 0.0 109.423 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' B' ' 27' ' ' LEU . 6.8 m -101.75 125.17 48.36 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.01 -1.056 . . . . 0.0 109.185 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 40.0 t0 -82.12 -175.93 5.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 109.803 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.413 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 24.9 t80 -75.37 -30.25 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 108.876 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.13 -37.03 83.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.098 -1.001 . . . . 0.0 108.846 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.518 ' O ' ' CD2' ' B' ' 76' ' ' PHE . 33.3 mt-10 -72.65 -24.77 61.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.6 t80 -74.13 -42.0 60.68 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.458 -0.776 . . . . 0.0 109.345 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.21 -48.26 79.07 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.301 -1.499 . . . . 0.0 107.75 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.25 -42.75 63.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.329 -1.482 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' B' ' 72' ' ' GLU . 43.5 m-85 -69.79 -32.58 71.14 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.408 -1.432 . . . . 0.0 109.478 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 55.3 t -67.78 -35.4 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.474 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' B' ' 79' ' ' MET . 14.3 p -70.96 -54.28 11.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.122 -0.986 . . . . 0.0 110.075 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.423 ' O ' ' OG1' ' B' ' 82' ' ' THR . 23.9 mtm -53.35 -51.59 61.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.13 -0.981 . . . . 0.0 110.473 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.81 -43.66 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.0 110.09 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 6.8 p -68.54 -40.66 80.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.065 -1.022 . . . . 0.0 109.914 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 79' ' ' MET . 8.7 p -57.04 -51.01 70.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.89 -30.41 45.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 109.52 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 39.7 t -77.0 106.87 8.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.222 -0.924 . . . . 0.0 109.265 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.519 ' H ' ' HD1' ' B' ' 85' ' ' HIS . 14.9 p-80 -61.19 -147.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.521 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 59.29 10.21 1.67 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.059 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -71.14 -59.32 2.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.971 . . . . 0.0 109.479 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -98.71 -42.05 7.41 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.315 -0.866 . . . . 0.0 109.108 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -86.77 65.54 9.05 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -74.94 85.46 2.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.176 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.495 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.617 ' N ' ' CE1' ' B' ' 42' ' ' HIS . 27.9 ttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.413 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 6.5 p -83.33 164.9 19.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.951 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.83 -32.36 63.52 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.247 -0.908 . . . . 0.0 109.211 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.24 -53.12 61.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.199 -0.938 . . . . 0.0 109.537 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' OE1' ' OG ' ' A' ' 1' ' ' SER . 2.5 mp0 -51.34 -47.19 62.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 109.427 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -51.04 -44.56 61.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.819 0.819 . . . . 0.0 109.464 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.72 -28.62 58.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.79 -0.569 . . . . 0.0 111.051 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.2 tpt -66.18 -50.86 62.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.385 -1.447 . . . . 0.0 108.612 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.51 -35.92 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.33 -0.856 . . . . 0.0 109.194 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.97 -47.63 82.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -45.9 -43.08 13.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.211 -0.931 . . . . 0.0 109.441 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.8 mp -65.05 -39.9 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.6 t70 -51.12 -53.44 34.29 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.664 0.745 . . . . 0.0 109.957 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.6 t -76.88 -44.74 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.564 -0.71 . . . . 0.0 111.289 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.83 -35.3 70.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.29 -1.507 . . . . 0.0 108.871 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -78.53 -30.5 47.05 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 109.732 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.73 -43.78 69.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.329 -0.857 . . . . 0.0 109.528 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.37 49.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.11 -0.994 . . . . 0.0 109.058 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' O ' ' OG ' ' A' ' 18' ' ' SER . 6.4 t -96.81 61.06 1.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.277 -0.889 . . . . 0.0 110.273 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.77 -15.03 7.01 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.99 -31.09 70.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.534 -0.98 . . . . 0.0 109.311 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' ASP . 37.1 mt-10 -148.8 -44.41 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.624 -1.298 . . . . 0.0 110.34 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.41 12.34 0.18 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.6 t0 -48.96 -55.53 11.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -1.186 . . . . 0.0 108.342 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -178.16 5.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -130.86 47.3 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -133.66 150.11 51.55 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.0 tp -123.65 141.34 52.11 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.7 148.89 23.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.848 -1.158 . . . . 0.0 109.555 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.3 pttm -56.94 -41.44 78.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 5.0 m -57.87 -40.2 79.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -0.806 . . . . 0.0 111.069 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.19 -33.9 43.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.005 -1.06 . . . . 0.0 109.068 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.12 -44.16 97.26 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.47 -57.21 10.62 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.599 -1.313 . . . . 0.0 108.785 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.27 -35.34 11.91 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.376 -0.929 . . . . 0.0 108.948 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -66.42 -49.56 66.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.028 -1.045 . . . . 0.0 108.737 179.083 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.6 mt -52.45 -38.73 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.698 -1.252 . . . . 0.0 109.694 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.28 -27.89 69.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.164 -0.96 . . . . 0.0 110.655 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.14 2.91 11.45 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.458 -0.776 . . . . 0.0 110.512 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 35' ' ' LEU . 30.4 tt0 -104.95 -31.69 9.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.127 -0.983 . . . . 0.0 110.659 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -125.41 38.85 4.09 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.445 -0.785 . . . . 0.0 109.662 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 p -68.45 -29.17 67.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.58 ' CE1' ' N ' ' B' ' 0' ' ' MET . 12.8 m170 -75.08 -51.87 12.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.943 -1.098 . . . . 0.0 109.94 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.21 -20.06 65.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.057 -1.027 . . . . 0.0 109.22 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.32 -50.67 38.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.356 -0.84 . . . . 0.0 109.717 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.97 -29.62 60.52 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.304 -0.872 . . . . 0.0 109.816 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -92.14 61.04 3.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.283 -0.885 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.444 HD11 HG22 ' A' ' 47' ' ' ILE . 87.5 mt -124.64 104.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.343 -0.848 . . . . 0.0 108.79 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.4 -46.58 7.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.101 -0.999 . . . . 0.0 109.423 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -83.75 66.54 9.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.0 109.382 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.02 -23.7 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.309 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 10.9 mp0 -74.23 -25.21 59.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.218 -0.926 . . . . 0.0 110.312 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.0 t -73.8 -49.72 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.11 -31.86 54.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 108.65 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -61.95 -49.49 75.93 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.365 -0.834 . . . . 0.0 109.813 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 54.8 mtpt -65.39 -26.78 68.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -0.93 . . . . 0.0 109.835 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.16 -55.15 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 120.682 -1.261 . . . . 0.0 108.001 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.72 -26.08 43.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.401 -0.812 . . . . 0.0 110.361 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.11 -39.95 14.16 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.006 -1.059 . . . . 0.0 109.786 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -68.93 -36.28 77.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.704 -1.247 . . . . 0.0 107.841 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.8 tp -69.11 -58.53 3.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.863 -1.148 . . . . 0.0 108.024 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 52.8 t0 -50.15 -20.12 0.93 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.203 -0.936 . . . . 0.0 109.197 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 69.7 mm-40 -100.02 41.74 1.15 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.323 1.059 . . . . 0.0 108.964 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.622 ' C ' ' H ' ' A' ' 65' ' ' ASP . 14.9 p-10 -43.51 -34.62 1.41 Allowed 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.624 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.31 -7.08 0.01 OUTLIER Glycine 0 N--CA 1.496 2.676 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.622 ' H ' ' C ' ' A' ' 63' ' ' ASP . 35.0 t70 -106.12 -31.4 8.72 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 119.133 1.466 . . . . 0.0 111.952 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 -25.09 25.42 Favored Glycine 0 N--CA 1.504 3.169 0 CA-C-N 121.02 1.737 . . . . 0.0 109.152 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -150.93 131.89 14.24 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.237 -1.155 . . . . 0.0 109.684 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.81 124.09 45.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.121 -0.987 . . . . 0.0 108.548 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -83.1 -172.88 4.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.185 -0.947 . . . . 0.0 109.743 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -74.87 -34.1 62.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 108.822 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.38 -38.62 80.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.991 -1.068 . . . . 0.0 108.731 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -72.6 -23.72 60.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.413 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 40.4 t80 -74.36 -42.2 59.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.433 -0.792 . . . . 0.0 109.236 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.06 -52.0 58.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.189 -1.569 . . . . 0.0 108.409 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.84 -50.37 66.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.298 -1.502 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.51 -36.82 85.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.753 -1.217 . . . . 0.0 109.529 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.413 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 40.5 t -65.01 -32.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.231 -0.918 . . . . 0.0 109.187 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.1 -51.79 28.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.211 -0.931 . . . . 0.0 110.082 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.1 tpp -50.57 -37.5 40.15 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.147 -0.97 . . . . 0.0 110.768 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.61 -48.79 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.809 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.8 m -61.96 -48.37 80.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.59 -22.64 56.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.349 -0.845 . . . . 0.0 109.663 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.95 76.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.973 . . . . 0.0 109.379 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.503 ' C ' ' H ' ' A' ' 86' ' ' GLU . 12.1 m -75.5 92.15 2.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 109.628 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.487 ' C ' ' H ' ' A' ' 87' ' ' PHE . 39.0 m170 -50.68 -11.32 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.422 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' H ' ' C ' ' A' ' 84' ' ' CYS . 39.8 mm-40 -75.17 30.38 0.1 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.675 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 85' ' ' HIS . 10.2 t80 -68.29 -53.59 23.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.181 -0.949 . . . . 0.0 108.886 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE2' ' ND1' ' B' ' 15' ' ' HIS . 3.0 m-30 -96.36 -35.67 11.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 108.77 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -90.79 69.63 6.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.447 -0.783 . . . . 0.0 109.502 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -71.9 53.58 0.25 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 0.0 109.176 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.016 -0.993 . . . . 0.0 109.448 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.58 ' N ' ' CE1' ' A' ' 42' ' ' HIS . 27.9 ttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.402 ' OG ' ' OE1' ' B' ' 4' ' ' GLU . 6.5 p -83.23 164.84 19.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.19 -0.944 . . . . 0.0 109.139 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.82 -32.35 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -0.936 . . . . 0.0 109.165 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.23 -53.19 61.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.402 ' OE1' ' OG ' ' B' ' 1' ' ' SER . 2.5 mp0 -51.25 -47.26 62.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.08 . . . . 0.0 109.428 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -51.04 -44.55 61.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.791 0.805 . . . . 0.0 109.462 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.78 -28.53 58.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.822 -0.549 . . . . 0.0 111.098 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -66.21 -50.88 62.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.443 -1.41 . . . . 0.0 108.628 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.42 -35.97 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.365 -0.834 . . . . 0.0 109.269 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -57.99 -47.58 82.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.125 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' B' ' 9' ' ' ALA . 83.1 mt -45.97 -42.99 13.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.485 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.474 ' N ' ' CD1' ' B' ' 11' ' ' ILE . 1.8 mp -65.1 -39.9 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.06 -53.47 33.46 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.639 0.733 . . . . 0.0 110.011 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.87 -44.78 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.637 -0.664 . . . . 0.0 111.214 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.82 -35.35 70.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.244 -1.535 . . . . 0.0 108.861 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.498 ' ND1' ' CE2' ' A' ' 88' ' ' PHE . 40.2 t60 -78.54 -30.41 46.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.373 -0.83 . . . . 0.0 109.779 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.8 -43.73 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.409 -0.807 . . . . 0.0 109.53 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.4 49.63 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.073 -1.017 . . . . 0.0 109.06 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 18' ' ' SER . 6.3 t -96.76 60.94 1.83 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.29 -0.881 . . . . 0.0 110.233 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.68 -15.11 7.03 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 107.734 -2.146 . . . . 0.0 107.734 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -60.86 -31.14 70.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.517 -0.99 . . . . 0.0 109.306 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' B' ' 23' ' ' ASP . 37.1 mt-10 -148.84 -44.35 0.15 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.639 -1.288 . . . . 0.0 110.413 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.4 12.31 0.18 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' B' ' 21' ' ' GLU . 52.6 t0 -49.0 -55.47 11.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.167 -1.196 . . . . 0.0 108.304 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -178.13 5.11 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -130.91 47.2 2.56 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -133.58 150.16 51.63 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 tp -123.62 141.39 52.06 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.77 148.9 22.96 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.843 -1.161 . . . . 0.0 109.551 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.3 pttm -56.95 -41.43 78.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.118 -0.989 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 5.0 m -57.9 -40.17 79.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 111.024 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.22 -33.86 43.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.012 -1.055 . . . . 0.0 109.076 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -62.17 -44.17 97.21 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.48 -57.18 10.71 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.59 -1.318 . . . . 0.0 108.774 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.29 -35.35 12.03 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.958 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -66.36 -49.63 66.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.058 -1.026 . . . . 0.0 108.761 179.028 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -52.39 -38.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.671 -1.268 . . . . 0.0 109.699 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.36 -27.86 69.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.181 -0.949 . . . . 0.0 110.675 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.1 2.81 11.46 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 35' ' ' LEU . 30.4 tt0 -104.89 -31.7 9.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.145 -0.972 . . . . 0.0 110.716 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.42 38.94 4.07 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.6 p -68.51 -29.2 67.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.079 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.617 ' CE1' ' N ' ' A' ' 0' ' ' MET . 12.8 m170 -75.03 -51.88 12.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.91 -1.118 . . . . 0.0 109.958 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -63.17 -20.07 65.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.084 -1.01 . . . . 0.0 109.234 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.34 -50.61 39.03 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.371 -0.831 . . . . 0.0 109.719 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.01 -29.62 60.64 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.326 -0.859 . . . . 0.0 109.81 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -92.13 61.05 3.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.241 -0.912 . . . . 0.0 110.892 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.417 HG22 HD11 ' B' ' 47' ' ' ILE . 87.8 mt -124.65 104.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.315 -0.865 . . . . 0.0 108.857 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.37 -46.55 7.62 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.103 -0.998 . . . . 0.0 109.422 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.7 66.47 9.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.1 -23.65 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.945 . . . . 0.0 110.25 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 10.9 mp0 -74.24 -25.23 59.52 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.252 -0.905 . . . . 0.0 110.288 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -73.8 -49.74 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.07 -31.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 108.656 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.03 -49.39 76.21 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.488 -0.757 . . . . 0.0 109.815 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' B' ' 59' ' ' THR . 54.8 mtpt -65.38 -26.81 68.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 109.845 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.17 -55.13 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.651 -1.281 . . . . 0.0 107.968 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.76 -26.08 44.04 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.804 . . . . 0.0 110.328 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.14 -39.91 14.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.015 -1.053 . . . . 0.0 109.821 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 0.8 OUTLIER -68.88 -36.28 77.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.768 -1.207 . . . . 0.0 107.898 179.442 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -69.1 -58.49 4.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.904 -1.123 . . . . 0.0 108.039 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 52.9 t0 -50.12 -20.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.974 . . . . 0.0 109.163 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -100.07 41.77 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 122.356 1.074 . . . . 0.0 109.226 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 65' ' ' ASP . 14.9 p-10 -43.41 -34.72 1.35 Allowed 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.207 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -7.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.091 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' B' ' 63' ' ' ASP . 34.9 t70 -106.17 -31.19 8.79 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.79 -1.417 . . . . 0.0 112.03 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.7 -25.22 24.95 Favored Glycine 0 N--CA 1.5 2.956 0 O-C-N 119.902 -1.749 . . . . 0.0 109.135 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -150.86 131.96 14.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -1.172 . . . . 0.0 109.631 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.86 124.05 45.96 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.103 -0.998 . . . . 0.0 108.565 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.05 -172.79 4.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.221 -0.924 . . . . 0.0 109.794 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -75.01 -34.03 61.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 108.774 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.42 -38.63 81.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.974 -1.079 . . . . 0.0 108.675 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.65 -23.64 60.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 109.618 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.412 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 40.5 t80 -74.35 -42.16 59.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.315 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.08 -51.96 58.39 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.211 -1.555 . . . . 0.0 108.448 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.37 66.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.319 -1.488 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.58 -36.74 84.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.7 -1.25 . . . . 0.0 109.489 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.412 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 40.6 t -65.02 -32.91 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.199 -0.938 . . . . 0.0 109.188 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.11 -51.79 28.77 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.0 tpp -50.5 -37.61 39.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.21 -0.931 . . . . 0.0 110.755 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.56 -48.72 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.876 -1.14 . . . . 0.0 109.858 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -61.95 -48.4 80.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.204 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.58 -22.58 56.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.86 75.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.395 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.503 ' C ' ' H ' ' B' ' 86' ' ' GLU . 12.0 m -75.49 92.11 2.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.307 -0.87 . . . . 0.0 109.634 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.487 ' C ' ' H ' ' B' ' 87' ' ' PHE . 38.9 m170 -50.62 -11.31 0.08 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.379 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.503 ' H ' ' C ' ' B' ' 84' ' ' CYS . 39.7 mm-40 -75.22 30.35 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.696 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' B' ' 85' ' ' HIS . 10.1 t80 -68.25 -53.62 23.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.224 -0.923 . . . . 0.0 108.874 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -96.29 -35.75 11.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.208 -0.933 . . . . 0.0 108.77 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -90.74 69.68 6.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -72.03 53.66 0.26 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.923 . . . . 0.0 109.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.458 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.8 p -80.11 167.67 20.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.221 -0.924 . . . . 0.0 109.314 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.47 -33.34 59.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.181 -0.949 . . . . 0.0 109.112 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.22 -50.6 71.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.767 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.22 -48.7 70.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 109.549 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.47 -41.03 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.748 0.785 . . . . 0.0 109.758 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.14 -29.42 48.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.798 -0.564 . . . . 0.0 111.237 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -48.44 79.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.398 -1.439 . . . . 0.0 107.987 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.03 -36.7 77.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 109.117 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.28 79.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.141 -0.974 . . . . 0.0 108.572 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.51 -41.13 13.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.987 . . . . 0.0 109.328 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.93 -41.79 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.4 m-20 -52.76 -51.09 62.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.6 -0.688 . . . . 0.0 110.368 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.82 -44.98 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.434 -0.791 . . . . 0.0 111.016 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -54.99 -34.24 63.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.384 -1.448 . . . . 0.0 108.731 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 15' ' ' HIS . 13.5 t-160 -78.87 -31.17 45.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.558 -0.714 . . . . 0.0 109.977 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -55.55 -45.37 77.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.28 -0.887 . . . . 0.0 110.206 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -71.85 -44.47 63.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.949 -1.095 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -99.68 58.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 110.084 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.42 -9.8 12.5 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -65.73 -37.66 87.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 35.0 mm-40 -143.18 -44.4 0.29 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.84 -1.163 . . . . 0.0 109.628 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.78 12.98 0.15 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 28.8 t70 -48.94 -56.31 9.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.248 . . . . 0.0 108.515 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -90.45 157.65 17.47 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -107.44 45.86 0.97 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.96 51.88 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -125.72 142.38 51.54 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -92.71 156.67 16.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.011 -1.055 . . . . 0.0 109.654 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 30' ' ' SER . 3.3 pttp -61.64 -40.07 93.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 0.0 110.589 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.402 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 3.3 t -59.27 -41.0 87.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.169 -0.957 . . . . 0.0 111.147 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -77.39 -33.5 55.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.034 . . . . 0.0 109.037 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.11 -43.51 98.25 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.26 -56.82 14.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.497 -1.377 . . . . 0.0 109.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -49.06 -36.82 19.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.168 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 8.9 tp -67.91 -45.25 74.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 109.307 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.14 -34.01 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.88 -1.138 . . . . 0.0 109.618 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.67 -30.21 67.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.944 . . . . 0.0 111.874 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -107.56 -0.27 22.18 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.001 -1.062 . . . . 0.0 111.404 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 3.7 mp0 -118.12 -21.99 7.98 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.1 -1.0 . . . . 0.0 110.163 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -120.26 24.49 10.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.339 -0.851 . . . . 0.0 109.412 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.78 -22.83 61.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 109.782 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -70.41 -49.71 46.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 109.725 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.6 -19.05 60.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 109.468 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -49.58 -32.1 11.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.209 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -82.92 -30.67 28.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 110.376 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.16 70.84 7.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.123 -0.986 . . . . 0.0 110.987 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.0 mt -126.82 110.24 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.15 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.82 106.94 18.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.0 pt20 -81.1 -19.07 44.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 111.201 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.72 -23.49 62.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.897 -1.127 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.8 -45.67 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.406 -1.434 . . . . 0.0 108.566 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.26 -34.89 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.69 -1.256 . . . . 0.0 108.964 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 50' ' ' GLN . 61.0 m-20 -57.84 -40.11 79.3 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.279 -0.888 . . . . 0.0 109.951 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 59' ' ' THR . 29.4 ttmt -70.84 -27.58 63.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.954 -1.091 . . . . 0.0 109.981 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.56 -55.58 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.616 -1.302 . . . . 0.0 108.0 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.44 -28.91 21.91 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.643 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -88.3 -37.56 15.89 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.0 -1.062 . . . . 0.0 109.236 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 4.4 m -69.17 -39.24 78.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.5 tp -69.73 -57.5 5.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.866 -1.146 . . . . 0.0 108.177 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.88 -18.01 0.24 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.081 -1.012 . . . . 0.0 109.352 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 60' ' ' LEU . 92.4 mt-10 -102.37 42.39 1.15 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.209 1.004 . . . . 0.0 109.364 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' A' ' 65' ' ' ASP . 31.7 t0 -44.09 -38.95 3.91 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.94 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.42 -5.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.599 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.759 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -108.84 -8.76 15.25 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-N 119.181 1.49 . . . . 0.0 112.427 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.35 2.33 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 119.595 -1.941 . . . . 0.0 110.562 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -146.52 130.82 17.54 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.033 -1.275 . . . . 0.0 109.839 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.62 125.45 49.36 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.186 -0.946 . . . . 0.0 108.834 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -84.38 -173.5 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.192 -0.942 . . . . 0.0 110.315 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.72 -28.21 60.7 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.05 -39.13 89.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.898 -1.126 . . . . 0.0 108.671 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.67 -23.14 62.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.0 109.387 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.531 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 32.2 t80 -76.02 -41.7 50.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.5 -0.75 . . . . 0.0 109.346 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.04 -55.8 14.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.083 -1.636 . . . . 0.0 108.496 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.9 -42.83 59.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.344 -1.473 . . . . 0.0 110.728 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.85 -37.89 70.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.742 -1.224 . . . . 0.0 109.994 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.531 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 25.2 t -60.18 -33.72 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.055 -1.028 . . . . 0.0 108.776 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.8 t -70.69 -51.17 29.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 59.6 mtp -49.39 -39.4 32.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.102 -0.998 . . . . 0.0 110.522 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.8 t -73.93 -45.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -71.36 -45.68 62.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 109.385 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 78' ' ' SER . 59.9 p -71.26 -21.29 62.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.762 . . . . 0.0 110.368 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.61 -43.67 72.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.002 -1.061 . . . . 0.0 108.746 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.515 ' C ' ' H ' ' A' ' 86' ' ' GLU . 27.3 p -88.96 73.72 8.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.154 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -49.12 -11.54 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.926 . . . . 0.0 109.517 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 84' ' ' CYS . 26.1 tt0 -74.38 6.0 4.08 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.235 -0.916 . . . . 0.0 109.509 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -65.52 -27.8 68.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.452 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.84 63.2 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -99.62 80.94 2.42 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -82.77 115.01 21.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.477 179.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.9 p -80.17 167.67 20.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.186 -0.946 . . . . 0.0 109.225 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.49 -33.31 59.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.954 . . . . 0.0 109.087 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.19 -50.6 71.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.442 -0.786 . . . . 0.0 109.772 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -54.31 -48.6 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 109.503 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.52 -41.05 28.96 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.752 0.787 . . . . 0.0 109.778 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.06 -29.49 49.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.764 -0.585 . . . . 0.0 111.287 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -48.44 79.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.376 -1.453 . . . . 0.0 108.026 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.05 -36.64 77.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.181 -0.949 . . . . 0.0 109.161 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.186 -0.946 . . . . 0.0 108.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.59 -41.07 13.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 109.333 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.02 -41.74 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 12' ' ' ASP . 2.4 m-20 -52.69 -51.15 61.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.585 -0.697 . . . . 0.0 110.359 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.79 -44.98 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.36 -0.837 . . . . 0.0 110.992 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.99 -34.3 63.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.354 -1.466 . . . . 0.0 108.714 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 13.5 t-160 -78.79 -31.24 45.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -55.52 -45.31 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 110.224 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -71.86 -44.58 63.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.939 -1.101 . . . . 0.0 109.253 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -99.6 58.73 1.07 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.36 -0.838 . . . . 0.0 110.111 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.38 -9.84 12.5 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 107.574 -2.21 . . . . 0.0 107.574 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -65.71 -37.68 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.71 -0.877 . . . . 0.0 109.188 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 23' ' ' ASP . 35.1 mm-40 -143.11 -44.42 0.29 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.764 -1.21 . . . . 0.0 109.653 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.75 12.97 0.15 Allowed Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' B' ' 21' ' ' GLU . 28.8 t70 -48.95 -56.3 9.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.104 -1.233 . . . . 0.0 108.502 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.4 157.6 17.52 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.4 45.82 0.97 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.97 51.88 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -125.69 142.34 51.56 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -92.69 156.7 16.89 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.031 -1.043 . . . . 0.0 109.648 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.66 -40.08 93.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.166 -0.959 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.32 -40.94 87.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.257 -0.902 . . . . 0.0 111.136 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -77.3 -33.56 55.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.038 . . . . 0.0 109.069 -179.116 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.14 -43.48 98.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.23 -56.85 14.3 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.471 -1.393 . . . . 0.0 109.029 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -49.13 -36.8 20.05 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.14 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 8.9 tp -67.91 -45.21 75.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.073 -1.017 . . . . 0.0 109.298 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.16 -34.04 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.87 -1.144 . . . . 0.0 109.614 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.66 -30.21 67.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.166 -0.959 . . . . 0.0 111.874 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -107.52 -0.33 22.2 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.046 -1.034 . . . . 0.0 111.412 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 3.7 mp0 -118.13 -22.01 7.97 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.027 -1.046 . . . . 0.0 110.15 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.23 24.45 10.41 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.326 -0.859 . . . . 0.0 109.466 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -22.99 61.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.754 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -70.34 -49.59 47.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 109.773 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.7 -19.06 60.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.414 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 tp -49.55 -32.14 11.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 0.0 110.242 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -82.85 -30.75 28.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.12 -0.987 . . . . 0.0 110.362 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.14 70.8 7.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.055 -1.028 . . . . 0.0 111.035 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.9 mt -126.78 110.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.377 -0.827 . . . . 0.0 109.347 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.14 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.053 . . . . 0.0 108.227 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.79 106.87 17.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.405 ' O ' ' OD2' ' B' ' 54' ' ' ASP . 10.0 pt20 -81.1 -18.98 44.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.986 -1.071 . . . . 0.0 111.236 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.76 -23.43 62.42 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.849 -1.157 . . . . 0.0 111.336 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.84 -45.62 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.401 -1.437 . . . . 0.0 108.596 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.31 -34.82 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.674 -1.266 . . . . 0.0 108.983 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' B' ' 50' ' ' GLN . 60.9 m-20 -57.86 -40.13 79.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' B' ' 59' ' ' THR . 29.5 ttmt -70.82 -27.6 63.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.938 -1.101 . . . . 0.0 109.938 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.57 -55.63 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.355 . . . . 0.0 107.989 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.35 -28.96 21.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.359 -0.838 . . . . 0.0 109.67 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -88.33 -37.6 15.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.979 -1.076 . . . . 0.0 109.183 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 4.4 m -69.17 -39.23 78.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.4 tp -69.74 -57.49 5.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.947 -1.095 . . . . 0.0 108.178 177.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.83 -18.02 0.24 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.083 -1.01 . . . . 0.0 109.332 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' B' ' 60' ' ' LEU . 92.4 mt-10 -102.42 42.54 1.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.26 1.029 . . . . 0.0 109.629 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.627 ' C ' ' H ' ' B' ' 65' ' ' ASP . 31.1 t0 -44.01 -39.1 3.89 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.518 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.28 -5.83 0.01 OUTLIER Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.949 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.627 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.9 OUTLIER -108.84 -8.64 15.27 Favored 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.078 1.439 . . . . 0.0 112.47 -179.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.38 2.33 Favored Glycine 0 N--CA 1.492 2.368 0 O-C-N 119.561 -1.962 . . . . 0.0 110.499 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -146.52 130.79 17.51 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.989 -1.3 . . . . 0.0 109.789 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.69 125.48 49.44 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.19 -0.943 . . . . 0.0 108.838 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.38 -173.51 4.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -0.931 . . . . 0.0 110.258 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.76 -28.23 60.67 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -66.03 -39.13 89.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.849 -1.157 . . . . 0.0 108.694 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -23.16 62.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 32.0 t80 -76.07 -41.64 49.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.775 . . . . 0.0 109.327 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mmt -65.98 -55.89 14.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.072 -1.642 . . . . 0.0 108.539 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.75 59.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.313 -1.492 . . . . 0.0 110.752 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.86 -37.87 70.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.779 -1.2 . . . . 0.0 110.009 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 25.2 t -60.22 -33.67 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.086 -1.009 . . . . 0.0 108.812 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.432 ' O ' ' OG1' ' B' ' 82' ' ' THR . 5.8 t -70.71 -51.21 28.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 0.0 110.091 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 59.6 mtp -49.33 -39.4 31.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 110.55 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.9 t -73.97 -45.12 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.076 -1.015 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -71.37 -45.79 62.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.347 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 78' ' ' SER . 60.5 p -71.14 -21.31 62.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.49 -0.757 . . . . 0.0 110.396 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.58 72.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.951 -1.093 . . . . 0.0 108.765 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.526 ' C ' ' H ' ' B' ' 86' ' ' GLU . 27.3 p -89.05 73.72 8.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.348 -0.845 . . . . 0.0 109.156 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -49.12 -11.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.533 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' B' ' 84' ' ' CYS . 26.2 tt0 -74.43 6.04 4.09 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.238 -0.914 . . . . 0.0 109.453 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -65.42 -27.86 68.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.876 -1.14 . . . . 0.0 109.451 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -34.83 63.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -99.62 80.98 2.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.466 -0.771 . . . . 0.0 108.936 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -82.86 114.96 21.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.185 -0.947 . . . . 0.0 109.488 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.446 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 0' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 p -69.33 168.93 13.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.136 -0.977 . . . . 0.0 109.129 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.45 -34.76 71.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -0.934 . . . . 0.0 109.617 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.68 -52.78 62.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 109.811 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.83 -47.59 64.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.098 . . . . 0.0 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.64 -41.96 32.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.664 0.745 . . . . 0.0 109.897 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.98 -29.46 43.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.702 -0.624 . . . . 0.0 111.097 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.14 -48.59 79.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.353 -1.467 . . . . 0.0 108.214 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.07 -36.26 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.527 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.26 76.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 108.702 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.74 -45.11 19.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.243 -0.911 . . . . 0.0 108.984 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.64 -42.53 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.36 -51.91 31.65 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.588 0.709 . . . . 0.0 109.994 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.61 -45.26 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.577 -0.702 . . . . 0.0 111.253 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.15 -32.61 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.306 -1.496 . . . . 0.0 108.799 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 16.1 t-80 -79.8 -31.34 40.71 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.566 -0.709 . . . . 0.0 109.92 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 19.6 tm0? -54.7 -45.0 73.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.842 . . . . 0.0 109.86 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 15.1 m-85 -71.93 -48.21 47.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.002 -1.061 . . . . 0.0 108.922 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.6 p -98.61 59.98 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.415 -0.803 . . . . 0.0 109.948 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.14 -13.27 7.13 Favored Glycine 0 N--CA 1.501 2.973 0 N-CA-C 107.692 -2.163 . . . . 0.0 107.692 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.32 -30.18 71.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.488 -1.007 . . . . 0.0 109.035 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' ASP . 43.4 mt-10 -147.48 -45.18 0.17 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.693 -1.255 . . . . 0.0 110.037 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.28 13.34 0.12 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.5 t70 -49.08 -57.22 6.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -1.231 . . . . 0.0 108.607 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -89.95 161.17 16.03 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.19 45.86 1.23 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -133.04 149.04 52.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.771 -0.581 . . . . 0.0 109.615 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 68' ' ' CYS . 10.7 tp -124.2 142.74 50.98 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -92.68 156.66 16.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 109.63 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' HG3' ' H ' ' A' ' 30' ' ' SER . 4.7 pttm -61.08 -39.98 91.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 110.435 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 69.2 m -57.8 -40.41 79.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.292 -0.88 . . . . 0.0 111.019 -178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.94 -33.47 39.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.956 -1.09 . . . . 0.0 108.658 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.94 -45.0 96.44 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' HZ3' ' N ' ' A' ' 61' ' ' ASP . 56.9 mttp -52.11 -56.72 12.67 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.265 -1.522 . . . . 0.0 109.034 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.04 -35.67 11.56 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.785 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.54 -39.57 88.63 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.702 -1.249 . . . . 0.0 109.292 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -61.16 -35.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.716 -1.24 . . . . 0.0 109.611 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -66.28 -32.78 74.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 111.68 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -108.88 -18.26 13.73 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.101 -1.0 . . . . 0.0 111.334 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.36 -28.12 14.62 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.829 -1.169 . . . . 0.0 110.752 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -115.3 29.74 7.82 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.407 -0.808 . . . . 0.0 108.979 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.73 -25.15 61.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 110.205 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.526 ' CE1' ' H3 ' ' B' ' 0' ' ' MET . 1.3 m-70 -72.69 -41.11 65.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.114 . . . . 0.0 109.568 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -72.76 -18.52 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.0 109.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.6 tp -46.35 -34.91 4.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.306 -0.871 . . . . 0.0 110.191 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.76 -29.95 29.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.146 -0.971 . . . . 0.0 110.455 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 4.3 mm-40 -92.18 60.37 3.71 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -0.945 . . . . 0.0 111.136 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.56 116.64 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 121.243 -0.911 . . . . 0.0 109.075 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.78 -46.92 5.49 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.224 -0.922 . . . . 0.0 109.322 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.14 64.86 7.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 0.0 109.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.28 -24.76 0.31 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.258 -0.901 . . . . 0.0 110.236 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.17 -22.78 57.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.107 -0.995 . . . . 0.0 110.431 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.53 -48.79 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.66 -1.275 . . . . 0.0 108.093 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.16 -32.09 56.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.85 -1.156 . . . . 0.0 108.723 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.03 -45.01 94.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -0.846 . . . . 0.0 110.065 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.27 -26.41 66.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 0.0 109.964 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.33 -56.42 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 108.6 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.41 24.78 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.319 -0.863 . . . . 0.0 109.919 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.97 -34.68 20.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.921 -1.112 . . . . 0.0 109.568 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.17 -41.88 76.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.675 -1.265 . . . . 0.0 108.201 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.03 -56.95 12.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.681 -1.262 . . . . 0.0 108.362 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' HZ3' ' A' ' 33' ' ' LYS . 38.2 t70 -50.49 -21.67 1.6 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.097 -1.002 . . . . 0.0 108.99 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -104.07 41.4 1.3 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.155 0.979 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.9 t0 -44.03 -38.7 3.69 Favored 'General case' 0 C--N 1.274 -2.691 0 CA-C-O 121.596 0.712 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.91 -8.88 0.01 OUTLIER Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.39 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.8 m-20 -107.57 -8.67 16.11 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 118.974 1.387 . . . . 0.0 112.272 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.82 -30.07 2.33 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 119.717 -1.864 . . . . 0.0 110.611 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -147.32 131.6 17.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.952 -1.323 . . . . 0.0 109.88 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' LEU . 23.3 m -104.01 126.51 51.18 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.207 -0.933 . . . . 0.0 108.866 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 21.4 t70 -82.49 -173.95 4.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.22 -0.925 . . . . 0.0 110.6 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.507 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.1 t80 -74.66 -27.75 60.56 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.2 -34.63 78.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 109.11 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.93 -23.2 60.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.03 -1.043 . . . . 0.0 110.086 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.46 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 72.6 t80 -73.34 -39.83 64.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.966 -1.084 . . . . 0.0 109.709 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.7 mmm -69.33 -53.79 17.83 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.127 -1.608 . . . . 0.0 109.519 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -52.59 62.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.229 -1.544 . . . . 0.0 111.168 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.75 -34.27 76.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.672 -1.267 . . . . 0.0 109.363 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 14.3 t -66.33 -33.07 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.892 . . . . 0.0 109.093 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.84 -50.56 41.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.063 -1.023 . . . . 0.0 110.033 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.2 mtp -50.68 -38.26 45.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.134 -0.979 . . . . 0.0 110.703 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.7 -47.61 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.979 -1.076 . . . . 0.0 109.876 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 p -67.81 -39.66 83.92 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.143 -0.973 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -71.09 -22.4 62.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.62 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.09 72.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.138 -0.976 . . . . 0.0 108.833 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 5.7 m -75.73 82.0 2.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.514 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 1.9 m-70 -47.02 -19.09 0.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.585 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' CYS . 14.9 pt-20 -83.26 20.4 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -59.53 -31.98 69.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.108 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 1.5 m-85 -94.26 -34.67 12.77 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -96.56 68.33 2.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.851 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.522 ' NE2' ' O ' ' A' ' 87' ' ' PHE . 58.8 m-70 -58.77 134.46 56.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.425 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.545 -179.838 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.571 ' N ' ' SD ' ' B' ' 0' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.1 p -69.26 168.84 13.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.139 -0.976 . . . . 0.0 109.129 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.51 -34.68 71.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.62 -52.82 62.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.817 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.92 -47.49 64.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 0.0 109.43 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.62 -42.02 32.88 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.714 0.769 . . . . 0.0 109.915 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.89 -29.48 44.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.645 -0.659 . . . . 0.0 111.079 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.18 -48.53 79.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.378 -1.451 . . . . 0.0 108.233 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.25 76.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.012 -1.055 . . . . 0.0 108.709 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.71 -45.21 19.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 108.931 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.56 -42.59 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.29 -51.91 30.88 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.565 0.697 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.64 -45.26 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.643 -0.661 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.13 -32.62 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.334 -1.479 . . . . 0.0 108.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' B' ' 15' ' ' HIS . 16.1 t-80 -79.86 -31.33 40.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.579 -0.7 . . . . 0.0 109.933 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 19.6 tm0? -54.66 -44.98 73.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.273 -0.892 . . . . 0.0 109.86 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 15.1 m-85 -71.96 -48.21 46.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.04 . . . . 0.0 108.915 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 70.5 p -98.55 59.95 1.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.12 -13.42 7.07 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.28 -30.12 71.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.501 -1.0 . . . . 0.0 109.075 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 43.5 mt-10 -147.5 -45.26 0.17 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.593 -1.317 . . . . 0.0 110.032 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.25 13.37 0.12 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 12.5 t70 -49.13 -57.18 7.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.249 . . . . 0.0 108.576 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -89.97 161.17 16.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.14 45.83 1.23 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -133.02 149.08 52.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.803 -0.561 . . . . 0.0 109.62 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' B' ' 68' ' ' CYS . 10.8 tp -124.23 142.72 51.01 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -92.68 156.57 16.98 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.008 -1.057 . . . . 0.0 109.673 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' B' ' 30' ' ' SER . 4.7 pttm -61.05 -39.96 91.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 110.436 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.416 ' H ' ' HG3' ' B' ' 29' ' ' LYS . 68.9 m -57.83 -40.41 79.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.889 . . . . 0.0 111.017 -178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -79.95 -33.39 39.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.704 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.98 -45.0 96.54 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HZ3' ' N ' ' B' ' 61' ' ' ASP . 56.9 mttp -52.17 -56.71 12.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.349 -1.47 . . . . 0.0 109.035 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.1 -35.66 11.78 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.746 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.5 -39.57 88.76 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.754 -1.216 . . . . 0.0 109.323 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.22 -35.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.769 -1.207 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.33 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 0.0 111.634 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -108.91 -18.29 13.72 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.053 -1.029 . . . . 0.0 111.328 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.33 -28.11 14.65 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.816 -1.178 . . . . 0.0 110.729 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -115.32 29.79 7.78 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.8 -25.07 61.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.237 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.467 ' CE1' ' H3 ' ' A' ' 0' ' ' MET . 1.3 m-70 -72.72 -41.1 65.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.963 -1.086 . . . . 0.0 109.597 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -72.76 -18.51 61.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.947 . . . . 0.0 109.444 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -46.39 -34.8 4.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.294 -0.879 . . . . 0.0 110.27 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.81 -30.02 29.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.379 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 4.3 mm-40 -92.06 60.28 3.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.18 -0.95 . . . . 0.0 111.187 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.49 116.61 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 109.116 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.85 -46.84 5.5 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.135 -0.978 . . . . 0.0 109.306 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.13 64.8 6.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.88 . . . . 0.0 109.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.25 -24.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.355 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.27 -22.74 57.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -0.999 . . . . 0.0 110.383 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.52 -48.75 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.69 -1.256 . . . . 0.0 108.125 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 78.8 t -64.27 -32.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.879 -1.138 . . . . 0.0 108.759 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.21 -26.46 66.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.002 -1.061 . . . . 0.0 109.947 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -56.33 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.677 -1.265 . . . . 0.0 108.612 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -28.47 25.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 0.0 109.853 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.92 -34.8 20.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.08 -41.85 76.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.667 -1.271 . . . . 0.0 108.278 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.07 -56.93 12.72 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.689 -1.257 . . . . 0.0 108.341 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.442 ' N ' ' HZ3' ' B' ' 33' ' ' LYS . 38.2 t70 -50.44 -21.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.158 -0.964 . . . . 0.0 108.992 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -104.03 41.47 1.29 Allowed 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.172 0.987 . . . . 0.0 109.596 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.627 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.0 t0 -43.9 -38.93 3.65 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.856 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.83 -8.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.627 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.8 m-20 -107.55 -8.74 16.1 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.85 -1.383 . . . . 0.0 112.35 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 -30.04 2.34 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 119.607 -1.933 . . . . 0.0 110.612 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -147.34 131.69 17.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.903 -1.351 . . . . 0.0 109.815 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' B' ' 27' ' ' LEU . 23.1 m -104.03 126.43 51.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 21.3 t70 -82.43 -173.97 4.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.146 -0.971 . . . . 0.0 110.623 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.516 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.2 t80 -74.62 -27.81 60.61 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.17 -34.55 78.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.049 . . . . 0.0 109.175 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -73.0 -23.13 60.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.997 -1.064 . . . . 0.0 110.042 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.456 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 72.6 t80 -73.41 -39.81 64.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.937 -1.102 . . . . 0.0 109.657 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 72.8 mmm -69.41 -53.74 17.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.12 -1.613 . . . . 0.0 109.476 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.54 62.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.248 -1.533 . . . . 0.0 111.12 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -62.76 -34.28 76.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.696 -1.253 . . . . 0.0 109.356 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 14.4 t -66.34 -33.1 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.283 -0.886 . . . . 0.0 109.07 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.83 -50.58 41.43 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.151 -0.968 . . . . 0.0 110.031 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 73.3 mtp -50.66 -38.22 45.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.127 -0.983 . . . . 0.0 110.706 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.79 -47.57 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.891 -1.131 . . . . 0.0 109.851 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -67.82 -39.77 83.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.181 -0.95 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.9 p -71.05 -22.38 62.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.05 72.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 108.8 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 5.8 m -75.79 82.05 2.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 109.305 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.486 ' N ' ' ND1' ' B' ' 85' ' ' HIS . 1.9 m-70 -46.99 -19.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.495 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 84' ' ' CYS . 14.9 pt-20 -83.31 20.48 1.3 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 0.0 109.534 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.617 ' CZ ' ' CD1' ' B' ' 88' ' ' PHE . 0.3 OUTLIER -59.52 -31.97 69.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 109.118 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' B' ' 87' ' ' PHE . 1.5 m-85 -94.28 -34.67 12.75 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -96.49 68.25 2.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.772 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' B' ' 87' ' ' PHE . 58.8 m-70 -58.7 134.52 56.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.014 -0.994 . . . . 0.0 109.562 -179.861 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.526 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 32.4 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 p -75.73 168.79 19.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 0.0 109.372 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.88 -37.45 84.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.042 -1.036 . . . . 0.0 109.437 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.62 -49.94 69.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.915 . . . . 0.0 108.994 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 0' ' ' MET . 73.6 tt0 -51.0 -46.64 61.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 108.963 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.06 -41.27 47.55 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.709 0.766 . . . . 0.0 109.912 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.8 -29.41 55.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.787 -0.571 . . . . 0.0 111.182 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.34 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.448 -1.408 . . . . 0.0 107.894 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -67.76 -36.81 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.26 -0.9 . . . . 0.0 109.214 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.51 -48.38 81.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.172 -0.955 . . . . 0.0 108.633 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 16.5 mt -45.08 -42.48 8.69 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.346 -0.847 . . . . 0.0 108.836 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.24 -39.6 85.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ALA . 25.1 t70 -50.95 -53.61 31.49 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.635 0.731 . . . . 0.0 109.788 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.61 -46.77 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.621 -0.675 . . . . 0.0 110.991 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -53.33 -34.62 58.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.385 -1.447 . . . . 0.0 109.377 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.92 -29.65 32.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 110.327 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.23 -44.7 68.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.208 -0.933 . . . . 0.0 109.345 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -74.06 -41.95 60.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -97.25 60.8 1.68 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.265 -0.897 . . . . 0.0 110.203 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.15 -9.3 8.86 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.48 -32.36 73.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.463 -1.022 . . . . 0.0 109.315 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.8 mp0 -147.63 -43.69 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.57 -1.331 . . . . 0.0 109.853 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.59 13.12 0.24 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLU . 48.6 t0 -49.17 -61.48 2.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.203 -1.174 . . . . 0.0 108.451 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.41 12.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 45.5 p-80 -116.56 48.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 89.2 mttt -130.63 148.9 52.48 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.56 142.83 51.05 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.8 153.43 18.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.921 -1.112 . . . . 0.0 109.823 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.38 -39.33 75.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.188 -0.945 . . . . 0.0 110.207 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.41 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 67.0 m -60.26 -40.34 89.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 110.919 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.72 -34.04 64.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.329 -0.949 . . . . 0.0 109.276 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.84 -43.22 89.16 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -51.01 -57.71 7.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.533 -1.355 . . . . 0.0 108.739 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -50.03 -36.23 28.0 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.389 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.68 -46.54 72.05 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.786 -1.196 . . . . 0.0 109.454 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.9 mt -53.71 -36.42 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.669 -1.269 . . . . 0.0 109.55 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -63.48 -42.18 98.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.377 -0.827 . . . . 0.0 111.323 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 22.5 t-20 -98.4 -18.72 18.13 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.033 -1.042 . . . . 0.0 111.309 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -93.33 -29.41 15.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.766 -1.209 . . . . 0.0 110.723 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.78 30.14 7.43 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 42' ' ' HIS . 4.2 p -68.67 -28.56 66.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.89 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.465 ' N ' ' HG ' ' A' ' 41' ' ' SER . 50.3 t-80 -74.17 -50.81 17.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.918 -1.114 . . . . 0.0 109.656 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -61.18 -28.7 69.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.72 -30.86 2.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.423 -0.798 . . . . 0.0 109.438 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.4 -37.16 52.55 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.01 -1.056 . . . . 0.0 109.398 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.25 59.67 4.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.284 -0.885 . . . . 0.0 110.01 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.94 110.61 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.94 -55.99 3.41 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.995 -1.066 . . . . 0.0 109.138 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 47.9 mp0 -75.45 106.37 6.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.488 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -82.36 -24.28 34.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.057 -1.027 . . . . 0.0 109.439 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.51 -22.22 59.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.302 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.17 -51.51 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.751 -1.218 . . . . 0.0 108.565 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -33.23 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 109.08 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.88 -42.92 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.283 -0.885 . . . . 0.0 109.964 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' A' ' 59' ' ' THR . 93.3 mttt -70.22 -26.59 63.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.108 -0.995 . . . . 0.0 110.112 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.78 -56.59 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.793 -1.192 . . . . 0.0 108.239 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 20.1 mtt -55.15 -26.18 36.95 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.4 -0.813 . . . . 0.0 109.916 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.96 -35.17 20.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.095 -1.003 . . . . 0.0 109.053 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 3.0 m -69.83 -43.53 71.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.691 -1.256 . . . . 0.0 107.842 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' GLU . 72.0 mt -61.79 -57.77 10.58 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.705 -1.247 . . . . 0.0 107.994 177.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -49.38 -20.23 0.65 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.154 -0.967 . . . . 0.0 108.93 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' LEU . 94.5 mt-10 -103.52 42.64 1.15 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.236 1.017 . . . . 0.0 109.02 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.613 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.5 t0 -43.31 -35.93 1.67 Allowed 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.601 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.36 -10.8 0.01 OUTLIER Glycine 0 N--CA 1.495 2.607 0 O-C-N 122.009 -0.432 . . . . 0.0 112.429 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.613 ' H ' ' C ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -106.52 -31.33 8.57 Favored 'General case' 0 N--CA 1.515 2.789 0 CA-C-N 119.444 1.622 . . . . 0.0 112.116 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.61 -26.9 21.94 Favored Glycine 0 N--CA 1.501 2.98 0 O-C-N 119.924 -1.735 . . . . 0.0 109.053 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' A' ' 26' ' ' LYS . 8.3 pt-20 -149.5 129.42 13.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.084 -1.245 . . . . 0.0 109.913 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.85 127.82 49.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.265 -0.897 . . . . 0.0 109.432 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.74 5.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.477 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.5 t80 -75.5 -31.07 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.838 . . . . 0.0 109.156 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.72 -36.85 74.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.055 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.4 -21.97 61.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 109.603 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.43 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 46.1 t80 -75.58 -40.94 55.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.294 -0.879 . . . . 0.0 109.622 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.15 -47.5 67.88 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.197 -1.564 . . . . 0.0 109.119 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.26 17.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.222 -1.549 . . . . 0.0 111.576 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -58.1 -37.78 75.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.574 -1.329 . . . . 0.0 109.891 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 40.2 t -63.3 -31.47 52.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 108.742 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.94 -50.45 41.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.0 109.747 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.9 mmm -49.84 -39.03 37.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.72 -50.54 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.006 -1.059 . . . . 0.0 109.394 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.3 m -57.94 -41.82 83.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.112 -0.992 . . . . 0.0 108.706 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -73.95 -20.96 60.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.906 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -56.89 -27.16 60.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.476 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' HIS . 14.4 p -74.13 146.49 43.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.343 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' CYS . 1.2 p80 -47.97 174.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.323 -0.861 . . . . 0.0 109.701 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -45.85 97.74 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.298 -0.876 . . . . 0.0 109.745 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.62 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 25.3 p90 -64.84 -25.16 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.307 -0.871 . . . . 0.0 109.778 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.62 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 25.6 m-85 -50.85 -32.66 20.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.975 -1.078 . . . . 0.0 108.756 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -100.14 50.69 0.9 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.546 -0.721 . . . . 0.0 109.32 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -62.13 146.05 51.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 109.367 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 91' ' ' GLU . 1.3 mp0 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.368 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.527 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 32.3 mtp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p -75.82 168.86 19.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.254 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.81 -37.55 84.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.51 -49.98 69.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.024 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' B' ' 0' ' ' MET . 73.5 tt0 -51.01 -46.55 61.58 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.929 . . . . 0.0 108.984 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.12 -41.31 48.34 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.765 0.793 . . . . 0.0 109.889 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.36 55.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.776 -0.577 . . . . 0.0 111.153 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.27 73.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.459 -1.401 . . . . 0.0 107.88 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.83 -36.79 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.169 -0.957 . . . . 0.0 109.199 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 108.606 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' B' ' 9' ' ' ALA . 16.6 mt -45.13 -42.44 8.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.314 -0.866 . . . . 0.0 108.859 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 9' ' ' ALA . 25.1 t70 -50.99 -53.62 31.63 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.62 0.724 . . . . 0.0 109.811 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.56 -46.74 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.624 -0.673 . . . . 0.0 110.994 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.37 -34.59 58.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.372 -1.455 . . . . 0.0 109.372 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.93 -29.66 32.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 110.334 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.14 -44.8 68.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.291 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -74.13 -41.96 60.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.026 -1.046 . . . . 0.0 109.026 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -97.18 60.81 1.7 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.252 -0.905 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.21 -9.28 8.83 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.38 -32.46 73.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.422 -1.046 . . . . 0.0 109.348 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.8 mp0 -147.6 -43.73 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.613 -1.304 . . . . 0.0 109.899 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.58 13.07 0.24 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 48.6 t0 -49.1 -61.52 2.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -1.22 . . . . 0.0 108.4 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.38 12.35 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 45.5 p-80 -116.45 48.51 1.26 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' B' ' 67' ' ' GLU . 89.2 mttt -130.59 148.92 52.44 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 68' ' ' CYS . 13.8 tp -124.6 142.75 51.13 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.73 153.47 18.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.899 -1.126 . . . . 0.0 109.87 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.491 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.45 -39.3 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.41 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 67.1 m -60.23 -40.29 89.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 110.964 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.81 -33.99 64.42 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.286 -0.965 . . . . 0.0 109.247 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.5 tp -65.83 -43.26 89.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -50.97 -57.68 7.97 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.49 -1.381 . . . . 0.0 108.774 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -50.09 -36.13 28.18 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.425 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.77 -46.58 71.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.735 -1.228 . . . . 0.0 109.436 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.65 -36.45 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.689 -1.257 . . . . 0.0 109.574 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -63.47 -42.11 98.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -0.806 . . . . 0.0 111.322 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 22.5 t-20 -98.46 -18.74 18.06 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.054 -1.029 . . . . 0.0 111.287 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.27 -29.51 15.64 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.699 -1.251 . . . . 0.0 110.742 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.75 30.23 7.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.38 -0.825 . . . . 0.0 108.844 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.452 ' HG ' ' N ' ' B' ' 42' ' ' HIS . 4.2 p -68.73 -28.48 66.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.862 . . . . 0.0 109.898 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.452 ' N ' ' HG ' ' B' ' 41' ' ' SER . 50.2 t-80 -74.29 -50.7 17.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.942 -1.098 . . . . 0.0 109.678 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -61.24 -28.67 69.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.77 -30.87 2.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -0.797 . . . . 0.0 109.45 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -77.36 -37.15 52.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.989 -1.069 . . . . 0.0 109.424 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.27 59.69 4.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.313 -0.867 . . . . 0.0 110.101 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.92 110.63 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.93 -56.08 3.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 47.9 mp0 -75.4 106.35 6.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.923 . . . . 0.0 109.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.4 -24.17 34.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.57 -22.17 59.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.194 -0.941 . . . . 0.0 110.287 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.2 -51.52 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.648 -1.282 . . . . 0.0 108.532 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.41 -33.27 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.891 -1.131 . . . . 0.0 109.049 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.91 -42.88 94.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.277 -0.889 . . . . 0.0 109.982 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' B' ' 59' ' ' THR . 93.2 mttt -70.24 -26.53 63.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 110.122 -179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 80.8 t -65.77 -56.72 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.806 -1.184 . . . . 0.0 108.189 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.415 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 20.1 mtt -55.08 -26.17 36.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.391 -0.818 . . . . 0.0 109.909 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.95 -35.23 20.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.031 -1.043 . . . . 0.0 109.021 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 3.0 m -69.85 -43.51 71.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.722 -1.236 . . . . 0.0 107.824 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' B' ' 62' ' ' GLU . 72.1 mt -61.83 -57.66 10.96 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.704 -1.248 . . . . 0.0 108.0 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' B' ' 57' ' ' MET . 0.9 OUTLIER -49.44 -20.15 0.66 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 108.984 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' B' ' 60' ' ' LEU . 94.6 mt-10 -103.33 42.49 1.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.187 0.994 . . . . 0.0 109.303 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.2 t0 -43.48 -35.68 1.72 Allowed 'General case' 0 C--N 1.276 -2.611 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.236 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.28 -11.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.486 0 C-N-CA 121.394 -0.431 . . . . 0.0 112.52 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.8 OUTLIER -106.41 -31.39 8.59 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.477 1.638 . . . . 0.0 112.106 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.03 21.41 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.811 -1.806 . . . . 0.0 109.077 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' B' ' 26' ' ' LYS . 8.3 pt-20 -149.4 129.4 13.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.105 -1.232 . . . . 0.0 109.91 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' B' ' 27' ' ' LEU . 2.5 m -102.87 127.83 49.91 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.242 -0.911 . . . . 0.0 109.396 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.73 5.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 109.799 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.487 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 29.4 t80 -75.53 -31.02 59.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.334 -0.854 . . . . 0.0 109.177 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.78 -36.81 75.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.95 -1.094 . . . . 0.0 109.001 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.42 -22.01 61.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.131 -0.981 . . . . 0.0 109.571 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.429 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 46.2 t80 -75.52 -40.93 56.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.344 -0.847 . . . . 0.0 109.668 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.21 -47.41 67.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.194 -1.566 . . . . 0.0 109.093 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.45 -56.21 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.127 -1.608 . . . . 0.0 111.563 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.15 -37.75 75.25 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.561 -1.337 . . . . 0.0 109.863 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 40.3 t -63.28 -31.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.147 -0.971 . . . . 0.0 108.74 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.91 -50.44 42.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.0 109.741 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 mmm -49.8 -39.11 37.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.71 -50.49 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.99 -1.069 . . . . 0.0 109.419 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -57.97 -41.78 83.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.127 -0.983 . . . . 0.0 108.696 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -73.98 -20.98 60.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.527 -0.733 . . . . 0.0 109.853 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 49' ' ' GLU . . . -56.85 -27.21 59.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' B' ' 85' ' ' HIS . 14.4 p -74.14 146.57 43.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.283 -0.885 . . . . 0.0 109.322 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' B' ' 84' ' ' CYS . 1.2 p80 -48.1 174.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.899 . . . . 0.0 109.684 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -45.79 97.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.272 -0.892 . . . . 0.0 109.729 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 25.1 p90 -64.81 -25.14 67.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 25.7 m-85 -50.82 -32.68 20.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.123 . . . . 0.0 108.762 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -100.23 50.71 0.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.602 -0.686 . . . . 0.0 109.324 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -62.2 146.16 51.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 109.375 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 91' ' ' GLU . 1.3 mp0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 0' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 10.3 p -65.4 173.9 2.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.164 -0.96 . . . . 0.0 109.226 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.04 -33.51 75.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.41 -49.98 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.835 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' OE1' ' OG ' ' A' ' 1' ' ' SER . 2.6 mp0 -53.16 -47.75 68.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.873 -1.142 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.58 -42.02 55.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.817 0.818 . . . . 0.0 109.771 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.18 -29.32 54.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.684 -0.635 . . . . 0.0 110.451 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.58 -45.02 94.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.713 -1.242 . . . . 0.0 108.475 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.85 -35.86 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.457 -0.777 . . . . 0.0 109.764 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.77 76.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 109.755 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -51.98 -56.23 15.5 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.904 0.859 . . . . 0.0 110.266 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.51 -37.85 47.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.86 -0.525 . . . . 0.0 110.142 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.99 -37.77 72.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.911 -1.118 . . . . 0.0 110.634 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.38 -42.69 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.439 -1.413 . . . . 0.0 109.012 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -54.34 -31.86 55.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.65 -1.281 . . . . 0.0 108.031 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.6 -31.43 47.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.616 -0.677 . . . . 0.0 110.097 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.36 -45.29 72.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.86 . . . . 0.0 109.918 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -72.47 -44.32 62.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.938 -1.101 . . . . 0.0 109.178 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -97.34 60.32 1.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 0.0 109.978 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.72 -9.56 8.28 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.13 -31.85 72.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.603 -0.94 . . . . 0.0 108.976 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' ASP . 36.7 mt-10 -148.69 -45.33 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.644 -1.285 . . . . 0.0 109.877 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.11 15.09 0.17 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 21' ' ' GLU . 89.8 m-20 -48.03 -57.33 5.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -1.191 . . . . 0.0 108.35 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.62 16.82 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.43 ' ND1' ' N ' ' A' ' 25' ' ' HIS . 12.1 p-80 -105.87 45.57 0.97 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.84 150.54 52.12 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.904 -0.498 . . . . 0.0 109.776 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.52 140.85 52.56 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.44 153.4 21.19 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.948 -1.095 . . . . 0.0 109.622 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 30' ' ' SER . 13.7 pttt -60.11 -41.47 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 110.338 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.418 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 50.2 m -56.38 -37.38 70.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 110.902 -178.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.18 -35.38 28.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.889 -1.132 . . . . 0.0 109.035 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.48 -45.58 88.37 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 2.2 ttmp? -52.78 -57.68 9.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.7 -1.25 . . . . 0.0 108.684 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.63 -37.41 28.01 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.08 -38.21 85.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.989 -1.069 . . . . 0.0 109.439 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.81 -34.66 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.745 -1.222 . . . . 0.0 109.324 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -64.97 -47.9 75.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.539 -0.726 . . . . 0.0 112.248 -177.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.63 6.22 42.26 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.771 -1.206 . . . . 0.0 111.79 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.42 -21.47 5.77 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.023 -1.048 . . . . 0.0 110.854 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.65 24.47 9.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.128 -0.982 . . . . 0.0 109.954 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -73.55 -25.87 60.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.415 ' HD1' ' N ' ' A' ' 42' ' ' HIS . 2.0 m80 -73.12 -51.39 18.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.145 -0.972 . . . . 0.0 110.043 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -64.23 -16.98 63.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.984 . . . . 0.0 109.39 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -33.92 3.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 109.638 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.01 -36.13 49.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.039 -1.038 . . . . 0.0 110.269 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.39 56.98 3.81 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 111.062 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.8 128.34 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.14 -55.69 2.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.275 -0.89 . . . . 0.0 109.693 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.32 107.13 6.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.158 -0.964 . . . . 0.0 109.655 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.0 -24.38 30.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.405 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -73.05 -22.53 60.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -0.886 . . . . 0.0 110.143 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.75 -47.54 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.682 -1.261 . . . . 0.0 107.777 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.47 -33.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.026 -1.046 . . . . 0.0 108.985 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.95 -45.84 89.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.44 -0.787 . . . . 0.0 109.647 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -69.84 -25.94 63.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.867 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.89 -56.97 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.783 -1.198 . . . . 0.0 107.919 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.55 -25.84 18.74 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.309 -0.869 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.4 -38.49 15.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.111 -0.993 . . . . 0.0 109.035 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.83 -46.18 72.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 23.0 tp -59.91 -57.57 12.29 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.887 -1.133 . . . . 0.0 108.14 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.08 -18.84 0.62 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 109.36 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 57.6 mm-40 -101.23 41.31 1.2 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 122.21 1.005 . . . . 0.0 109.402 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.613 ' C ' ' H ' ' A' ' 65' ' ' ASP . 31.3 t0 -44.7 -35.04 2.47 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.231 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.3 -7.17 0.01 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.423 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.613 ' H ' ' C ' ' A' ' 63' ' ' ASP . 89.2 m-20 -104.56 -31.21 9.54 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 119.349 1.575 . . . . 0.0 111.99 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.78 -26.12 24.33 Favored Glycine 0 N--CA 1.502 3.058 0 O-C-N 119.858 -1.776 . . . . 0.0 108.881 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.85 131.32 16.7 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.271 -1.135 . . . . 0.0 109.239 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.07 127.22 52.79 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.105 -0.997 . . . . 0.0 109.569 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.09 5.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.32 -0.863 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.25 -25.71 59.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.446 -0.784 . . . . 0.0 109.253 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.38 -36.57 84.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.842 -1.162 . . . . 0.0 108.948 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.52 -22.48 61.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.212 -0.93 . . . . 0.0 109.737 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -76.24 -42.3 46.32 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -0.774 . . . . 0.0 109.203 178.582 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.41 -56.11 9.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.161 -1.587 . . . . 0.0 108.954 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.17 58.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.331 -1.481 . . . . 0.0 110.783 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.52 -34.53 72.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.72 -1.237 . . . . 0.0 109.64 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.03 -32.9 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.0 108.607 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.33 -53.19 20.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.538 ' O ' ' N ' ' A' ' 83' ' ' ALA . 42.1 mtp -52.08 -52.11 53.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.0 109.895 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.05 -39.78 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.607 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -69.39 -48.73 60.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.039 -1.038 . . . . 0.0 108.82 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.3 p -72.67 -18.4 61.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.498 -0.752 . . . . 0.0 109.703 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.12 -29.19 57.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 0.0 109.235 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' HIS . 20.8 p -73.54 152.63 40.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.396 -0.815 . . . . 0.0 109.211 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -47.91 175.37 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.747 -179.636 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -44.25 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.416 -0.802 . . . . 0.0 109.988 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 40.6 p90 -62.3 -24.51 67.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.186 -0.946 . . . . 0.0 109.121 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 87' ' ' PHE . 58.5 m-85 -50.02 -37.0 30.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.201 -0.937 . . . . 0.0 108.804 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.38 57.08 2.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -59.57 104.75 0.3 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 0.0 109.266 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.41 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' B' ' 0' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 10.4 p -65.5 173.91 2.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.212 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.0 -33.42 75.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.41 -50.01 74.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.804 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 1' ' ' SER . 2.6 mp0 -53.19 -47.72 68.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.932 -1.105 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.7 -41.9 56.39 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.804 0.811 . . . . 0.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.38 54.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.699 -0.625 . . . . 0.0 110.459 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.52 -45.0 94.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.743 -1.223 . . . . 0.0 108.457 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -69.96 -35.8 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.454 -0.779 . . . . 0.0 109.708 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.83 76.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.269 -0.894 . . . . 0.0 109.744 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.9 -56.22 15.43 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.884 0.85 . . . . 0.0 110.26 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.2 mt -55.59 -37.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.144 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -70.92 -37.79 72.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.896 -1.127 . . . . 0.0 110.658 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.38 -42.71 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.447 -1.408 . . . . 0.0 108.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.25 -31.86 54.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.664 -1.272 . . . . 0.0 108.013 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.72 -31.39 46.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.605 -0.684 . . . . 0.0 110.056 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.33 -45.24 72.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -72.49 -44.28 62.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.941 -1.099 . . . . 0.0 109.169 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -97.42 60.42 1.61 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.75 -9.53 8.27 Favored Glycine 0 N--CA 1.5 2.953 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.15 -31.77 72.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.616 -0.932 . . . . 0.0 108.973 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 23' ' ' ASP . 36.7 mt-10 -148.75 -45.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.694 -1.254 . . . . 0.0 109.848 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.08 15.11 0.17 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 21' ' ' GLU . 89.7 m-20 -48.07 -57.36 5.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -1.169 . . . . 0.0 108.32 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.52 16.88 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.431 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.0 p-80 -105.81 45.61 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.8 150.49 52.14 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.906 -0.496 . . . . 0.0 109.807 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.51 140.89 52.52 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.41 153.31 21.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.956 -1.09 . . . . 0.0 109.671 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' B' ' 30' ' ' SER . 13.7 pttt -59.96 -41.59 92.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 110.377 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.422 ' H ' ' HG3' ' B' ' 29' ' ' LYS . 50.2 m -56.29 -37.38 69.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 110.939 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.22 -35.44 28.21 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.984 -1.072 . . . . 0.0 109.006 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.46 -45.61 88.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.439 ' CB ' ' NZ ' ' B' ' 33' ' ' LYS . 2.2 ttmp? -52.84 -57.6 9.66 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.626 -1.296 . . . . 0.0 108.664 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.72 -37.2 28.27 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.23 -38.16 84.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.055 -1.028 . . . . 0.0 109.436 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.82 -34.75 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.733 -1.23 . . . . 0.0 109.287 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.405 ' C ' ' ND2' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -64.89 -47.9 76.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 112.244 -177.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -89.69 6.27 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.814 -1.179 . . . . 0.0 111.759 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.47 -21.49 5.74 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.075 -1.015 . . . . 0.0 110.83 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.59 24.37 9.22 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.24 -0.912 . . . . 0.0 109.98 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -73.5 -25.88 60.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 109.758 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.402 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 2.0 m80 -73.15 -51.35 18.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.151 -0.968 . . . . 0.0 110.036 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.31 -16.99 63.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.19 -0.944 . . . . 0.0 109.39 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.66 -34.01 3.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.675 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.05 -36.09 48.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.44 57.0 3.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 111.079 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 68.7 mt -127.81 128.27 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.12 -55.73 2.36 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.292 -0.88 . . . . 0.0 109.65 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.28 107.14 6.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -84.01 -24.38 30.56 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.072 -1.018 . . . . 0.0 109.402 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -73.05 -22.45 60.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.156 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.1 t -72.81 -47.56 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.628 -1.295 . . . . 0.0 107.733 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.46 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.08 -1.013 . . . . 0.0 108.992 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.94 -45.85 89.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.454 -0.779 . . . . 0.0 109.65 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' B' ' 59' ' ' THR . 27.2 mmtp -69.81 -25.92 64.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.198 -0.939 . . . . 0.0 109.864 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.92 -57.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.734 -1.229 . . . . 0.0 107.887 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.8 mmt -53.5 -25.83 18.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.869 . . . . 0.0 109.486 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.42 -38.51 14.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.132 -0.98 . . . . 0.0 109.035 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 7.0 m -67.7 -46.22 72.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.93 -57.57 12.31 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.862 -1.149 . . . . 0.0 108.099 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.09 -18.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.44 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -100.76 40.72 1.24 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.128 0.966 . . . . 0.0 109.697 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' B' ' 65' ' ' ASP . 27.5 t0 -45.02 -34.12 2.35 Favored 'General case' 0 C--N 1.276 -2.611 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.23 -8.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.618 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.609 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 63' ' ' ASP . 89.2 m-20 -104.14 -31.17 9.77 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.466 1.633 . . . . 0.0 112.096 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.86 -26.26 23.83 Favored Glycine 0 N--CA 1.499 2.878 0 O-C-N 119.939 -1.726 . . . . 0.0 108.85 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.72 131.22 16.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.279 -1.13 . . . . 0.0 109.244 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.0 127.22 52.77 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.139 -0.976 . . . . 0.0 109.598 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.01 5.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.3 -25.71 59.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.425 -0.797 . . . . 0.0 109.22 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.4 -36.53 84.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.88 -1.138 . . . . 0.0 108.964 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.58 -22.46 61.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -76.3 -42.21 46.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.477 -0.765 . . . . 0.0 109.213 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.5 -56.04 9.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.2 -1.563 . . . . 0.0 108.988 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.2 58.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.366 -1.459 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.51 -34.49 72.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.756 -1.215 . . . . 0.0 109.659 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.07 -32.86 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.975 . . . . 0.0 108.635 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.35 -53.26 20.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.234 -0.917 . . . . 0.0 109.645 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.53 ' O ' ' N ' ' B' ' 83' ' ' ALA . 42.2 mtp -52.03 -52.07 53.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.173 -0.954 . . . . 0.0 109.903 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.11 -39.77 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.425 -0.797 . . . . 0.0 109.594 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.7 m -69.43 -48.72 60.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.1 p -72.71 -18.36 61.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.665 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.17 -29.11 57.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' B' ' 85' ' ' HIS . 21.0 p -73.64 152.68 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.427 -0.796 . . . . 0.0 109.167 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.448 ' O ' ' O ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -47.89 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.886 . . . . 0.0 109.781 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' B' ' 86' ' ' GLU . 0.7 OUTLIER -44.23 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.403 -0.811 . . . . 0.0 109.989 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.575 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 40.7 p90 -62.27 -24.36 67.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 109.072 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CE1' ' CE1' ' B' ' 87' ' ' PHE . 59.3 m-85 -50.11 -37.0 31.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 0.0 108.918 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.28 56.94 2.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.524 -0.735 . . . . 0.0 109.205 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -59.61 104.83 0.31 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 0.0 109.257 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.398 -179.707 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.512 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 39.3 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 p -84.85 166.01 17.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.134 -0.978 . . . . 0.0 108.996 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.07 69.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.66 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.62 -49.97 75.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.294 -0.879 . . . . 0.0 109.626 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 0' ' ' MET . 21.8 mt-10 -58.15 -47.06 84.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.002 -1.061 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -46.63 -42.95 17.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.825 0.821 . . . . 0.0 109.724 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.52 -28.65 41.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.666 -0.646 . . . . 0.0 110.749 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.17 -47.79 82.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.388 -1.445 . . . . 0.0 108.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 0.0 109.536 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.68 81.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.152 -0.967 . . . . 0.0 109.329 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.66 -45.12 27.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.876 -1.14 . . . . 0.0 109.003 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.62 -43.33 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.459 -0.897 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -50.69 -49.44 57.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.561 -0.712 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -76.79 -46.55 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 110.991 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -51.07 -33.82 27.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.531 -1.355 . . . . 0.0 109.319 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -80.47 -30.37 37.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 110.361 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -54.01 -45.02 71.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -73.91 -39.7 63.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.024 -1.047 . . . . 0.0 108.886 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.9 56.61 0.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.79 . . . . 0.0 109.912 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.7 11.09 Favored Glycine 0 N--CA 1.503 3.113 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -65.67 -32.24 73.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.589 -0.948 . . . . 0.0 109.251 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 23' ' ' ASP . 47.0 mt-10 -146.96 -45.27 0.18 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.29 0.25 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 21' ' ' GLU . 17.4 m-20 -47.9 -63.17 1.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.113 -1.227 . . . . 0.0 108.348 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -88.81 172.81 8.94 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.46 ' CE1' ' NZ ' ' A' ' 26' ' ' LYS . 21.9 p-80 -118.98 49.8 1.28 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' NZ ' ' CE1' ' A' ' 25' ' ' HIS . 50.2 mttp -130.75 147.16 52.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.894 -0.504 . . . . 0.0 109.646 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.13 52.67 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.04 149.13 25.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.01 -1.056 . . . . 0.0 109.446 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.1 pttm -57.21 -41.31 79.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.849 -1.157 . . . . 0.0 109.695 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 39.9 m -57.76 -39.61 77.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.645 -0.659 . . . . 0.0 111.137 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.27 -34.84 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.905 -1.122 . . . . 0.0 108.922 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -45.14 95.42 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.93 -57.15 12.05 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.687 -1.258 . . . . 0.0 108.829 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.01 -36.56 18.05 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.571 -0.851 . . . . 0.0 108.942 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.44 -36.31 78.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.929 . . . . 0.0 109.698 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.85 -35.73 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.806 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.64 -48.81 68.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 111.819 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.44 5.91 32.85 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.042 -1.036 . . . . 0.0 111.452 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.83 -26.61 3.45 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.989 -1.069 . . . . 0.0 111.178 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.63 12.36 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.1 -1.0 . . . . 0.0 109.138 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.75 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.427 -0.796 . . . . 0.0 109.536 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.434 ' C ' ' ND1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -72.88 -49.82 27.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 0.0 110.067 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.04 -19.2 64.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 109.806 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.48 -25.94 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.436 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -78.48 -39.21 39.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -0.974 . . . . 0.0 109.927 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.1 57.99 3.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.266 -0.896 . . . . 0.0 110.375 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -117.72 104.5 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -83.63 -51.13 7.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.006 -1.059 . . . . 0.0 109.173 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.02 103.09 12.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.118 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.32 -21.47 45.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.93 -1.106 . . . . 0.0 109.468 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.32 -21.97 60.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.6 t -74.69 -49.97 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.62 -1.3 . . . . 0.0 108.071 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.97 -33.52 58.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.886 -1.134 . . . . 0.0 108.917 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.12 -46.57 89.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.33 -0.856 . . . . 0.0 109.647 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.16 -26.85 65.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.061 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.08 -56.15 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.69 -1.256 . . . . 0.0 108.267 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.63 -25.36 38.54 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.358 -0.838 . . . . 0.0 110.4 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -85.73 -35.43 20.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.9 -1.125 . . . . 0.0 109.28 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.91 -47.13 69.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.805 -1.184 . . . . 0.0 108.012 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.23 -56.72 18.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.642 -1.286 . . . . 0.0 107.829 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.16 -22.61 1.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 108.952 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -103.41 41.62 1.25 Allowed 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 122.106 0.955 . . . . 0.0 109.012 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.621 ' C ' ' H ' ' A' ' 65' ' ' ASP . 22.9 p-10 -43.85 -34.12 1.52 Allowed 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.726 0.774 . . . . 0.0 109.67 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.17 -9.07 0.01 OUTLIER Glycine 0 N--CA 1.495 2.571 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.621 ' H ' ' C ' ' A' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.82 8.11 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 119.226 1.513 . . . . 0.0 112.101 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -26.09 23.38 Favored Glycine 0 N--CA 1.502 3.087 0 O-C-N 119.836 -1.79 . . . . 0.0 109.494 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -149.3 131.46 15.43 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.095 -1.238 . . . . 0.0 109.776 179.169 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.88 125.48 48.57 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.096 -1.002 . . . . 0.0 109.518 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.2 m-20 -83.81 -173.42 4.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.271 -0.893 . . . . 0.0 110.021 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.84 -26.43 59.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.305 -0.872 . . . . 0.0 109.052 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -62.65 -35.64 80.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.801 -1.187 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -73.18 -23.11 60.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.141 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 3.2 t80 -78.28 -42.07 32.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 109.566 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.56 -31.14 68.06 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.381 -1.449 . . . . 0.0 109.514 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.31 -55.24 5.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.199 -1.563 . . . . 0.0 110.906 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.28 -33.8 71.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.521 -1.362 . . . . 0.0 109.707 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.9 t -65.1 -32.38 58.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.262 -0.898 . . . . 0.0 108.619 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.06 -51.28 40.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.48 -40.1 50.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 110.418 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.23 -57.23 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.006 -1.059 . . . . 0.0 109.516 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.6 p -60.39 -38.55 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.05 -1.031 . . . . 0.0 108.503 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -74.64 -20.83 59.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.605 -0.684 . . . . 0.0 110.061 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -43.49 66.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.895 -1.128 . . . . 0.0 108.703 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 46.4 t -76.57 49.74 0.63 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -46.36 172.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.482 -0.761 . . . . 0.0 109.881 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 62.01 19.29 10.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -0.85 . . . . 0.0 109.604 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 17.6 p90 -62.17 -23.63 66.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 109.495 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.612 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 21.4 m-85 -50.52 -38.31 43.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -0.949 . . . . 0.0 109.352 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 91' ' ' GLU . 73.7 mt-10 -84.86 61.55 6.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.593 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -67.77 75.65 0.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.366 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 89' ' ' GLU . 41.3 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.492 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.516 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 39.3 ttp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 p -84.82 166.03 17.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.211 -0.931 . . . . 0.0 108.972 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.04 69.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.944 . . . . 0.0 109.681 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.71 -49.89 75.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.621 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' B' ' 0' ' ' MET . 21.9 mt-10 -58.15 -47.11 84.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.055 -1.028 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -46.53 -43.05 16.62 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.827 0.822 . . . . 0.0 109.713 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.53 -28.64 41.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.72 -0.612 . . . . 0.0 110.716 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.12 -47.84 82.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.42 -1.425 . . . . 0.0 108.558 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.485 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.62 81.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.72 -45.11 28.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.927 -1.108 . . . . 0.0 109.008 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.69 -43.25 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.605 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.78 -49.44 58.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.579 -0.701 . . . . 0.0 110.049 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.9 t -76.77 -46.63 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -0.876 . . . . 0.0 110.927 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -50.95 -33.88 26.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.515 -1.366 . . . . 0.0 109.312 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -80.51 -30.34 37.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 110.351 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -53.99 -45.1 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.188 -0.945 . . . . 0.0 109.959 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -73.88 -39.62 63.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.046 -1.034 . . . . 0.0 108.934 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.98 56.63 0.96 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 109.841 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.75 11.05 Favored Glycine 0 N--CA 1.503 3.11 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -65.69 -32.23 73.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.623 -0.927 . . . . 0.0 109.186 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' B' ' 23' ' ' ASP . 47.0 mt-10 -146.94 -45.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.584 -1.323 . . . . 0.0 109.923 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.27 0.25 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' B' ' 21' ' ' GLU . 17.4 m-20 -47.91 -63.21 1.13 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.142 -1.21 . . . . 0.0 108.293 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -88.81 172.79 8.95 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CE1' ' NZ ' ' B' ' 26' ' ' LYS . 21.9 p-80 -118.93 49.73 1.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.463 ' NZ ' ' CE1' ' B' ' 25' ' ' HIS . 50.3 mttp -130.75 147.22 52.39 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.12 52.68 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.06 149.12 25.38 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.034 -1.041 . . . . 0.0 109.455 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.1 pttm -57.12 -41.38 78.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.85 -1.156 . . . . 0.0 109.681 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 39.6 m -57.73 -39.66 77.84 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.645 -0.659 . . . . 0.0 111.112 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.21 -34.81 37.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.889 -1.132 . . . . 0.0 108.974 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.77 -45.09 95.7 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.95 -57.1 12.25 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.681 -1.262 . . . . 0.0 108.844 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.1 -36.56 19.02 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.933 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.37 -36.36 79.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 0.0 109.706 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.83 -35.64 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.799 -1.188 . . . . 0.0 109.84 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.66 -48.81 68.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.797 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.43 5.81 33.26 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.022 -1.049 . . . . 0.0 111.463 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.73 -26.64 3.47 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.992 -1.067 . . . . 0.0 111.17 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.62 12.36 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.09 -1.006 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.81 61.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 0.3 OUTLIER -72.8 -49.87 27.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.085 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.1 -19.13 64.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.771 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -25.93 2.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.288 -0.883 . . . . 0.0 109.474 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -78.55 -39.15 38.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.161 -0.962 . . . . 0.0 109.889 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.07 57.93 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.207 -0.933 . . . . 0.0 110.422 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -117.71 104.61 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -83.7 -51.13 7.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.028 -1.045 . . . . 0.0 109.162 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.07 103.15 13.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.885 . . . . 0.0 109.09 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.34 -21.46 45.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.971 -1.081 . . . . 0.0 109.454 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -73.39 -21.97 60.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.174 -0.954 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.6 -49.99 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.678 -1.264 . . . . 0.0 108.107 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.06 -33.44 58.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 120.957 -1.089 . . . . 0.0 108.885 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.21 -46.47 89.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -0.886 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.2 -26.83 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 110.085 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.13 -56.15 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.72 -1.238 . . . . 0.0 108.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.6 -25.47 38.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.469 -0.77 . . . . 0.0 110.323 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -85.65 -35.42 20.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.962 -1.086 . . . . 0.0 109.283 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.96 -47.1 69.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.798 -1.189 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.19 -56.71 18.66 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.681 -1.262 . . . . 0.0 107.841 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.22 -22.54 1.78 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 108.94 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -103.45 41.72 1.24 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.199 0.999 . . . . 0.0 109.272 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.589 ' C ' ' H ' ' B' ' 65' ' ' ASP . 22.9 p-10 -43.59 -34.37 1.4 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.03 -9.08 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.019 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.71 8.16 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 119.145 1.473 . . . . 0.0 112.113 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.1 -26.29 22.57 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 119.769 -1.832 . . . . 0.0 109.447 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -149.2 131.51 15.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.129 -1.218 . . . . 0.0 109.715 179.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.94 125.53 48.65 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.176 -0.953 . . . . 0.0 109.468 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 1.2 m-20 -83.87 -173.44 4.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.013 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -74.83 -26.37 59.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.087 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.74 -35.62 80.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.936 -1.102 . . . . 0.0 108.372 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -73.14 -23.14 60.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 3.2 t80 -78.35 -42.02 31.77 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.52 -31.2 68.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.373 -1.454 . . . . 0.0 109.527 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.25 -55.25 5.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.241 -1.537 . . . . 0.0 110.919 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.25 -33.86 71.54 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.536 -1.352 . . . . 0.0 109.708 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 40.1 t -65.07 -32.37 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 0.0 108.633 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.12 -51.15 41.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.301 -0.874 . . . . 0.0 109.565 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.56 -40.02 50.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.968 . . . . 0.0 110.447 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.27 -57.24 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.966 -1.084 . . . . 0.0 109.479 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.8 p -60.39 -38.56 84.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.089 -1.007 . . . . 0.0 108.507 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 m -74.69 -20.8 59.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.553 -0.717 . . . . 0.0 110.05 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.44 66.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.162 . . . . 0.0 108.693 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 46.4 t -76.62 49.77 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -46.3 172.68 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.449 -0.782 . . . . 0.0 109.92 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 62.03 19.2 10.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.37 -0.831 . . . . 0.0 109.585 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 17.8 p90 -62.1 -23.58 66.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.213 -0.929 . . . . 0.0 109.502 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 21.6 m-85 -50.56 -38.33 44.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 0.0 109.32 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 91' ' ' GLU . 73.7 mt-10 -84.82 61.6 6.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.454 -0.779 . . . . 0.0 109.587 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -67.85 75.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.222 -0.923 . . . . 0.0 109.336 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 89' ' ' GLU . 41.2 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.514 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.53 ' H1 ' ' CD ' ' A' ' 4' ' ' GLU . 26.2 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 p -62.64 172.05 1.78 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.119 -0.988 . . . . 0.0 108.983 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.1 -34.51 78.2 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.066 -1.021 . . . . 0.0 109.385 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.56 -52.88 63.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.296 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.53 ' CD ' ' H1 ' ' A' ' 0' ' ' MET . 33.6 mt-10 -53.1 -46.96 68.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 110.021 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.76 -44.55 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.947 0.88 . . . . 0.0 109.346 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.72 -29.55 51.26 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.919 -0.488 . . . . 0.0 110.723 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.43 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -62.81 -47.15 84.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.678 -1.264 . . . . 0.0 108.545 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.03 -35.99 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.485 -0.759 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.79 76.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.896 -1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.88 -55.72 21.09 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.955 0.883 . . . . 0.0 110.269 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.04 -43.11 68.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.894 -0.504 . . . . 0.0 110.371 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.93 -36.89 78.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.779 -1.2 . . . . 0.0 110.578 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.65 -36.08 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.479 -1.388 . . . . 0.0 108.91 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.77 -31.77 66.84 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.063 -1.023 . . . . 0.0 108.346 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.08 -30.47 43.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.57 -0.706 . . . . 0.0 109.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.472 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 13.3 tm0? -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.074 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.472 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 24.0 m-85 -75.01 -41.22 59.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.083 -1.01 . . . . 0.0 109.323 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.431 ' O ' ' OG ' ' A' ' 18' ' ' SER . 15.2 p -97.24 57.58 1.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.58 -11.26 8.02 Favored Glycine 0 N--CA 1.501 3.013 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.14 -29.73 69.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.528 -0.983 . . . . 0.0 108.794 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' A' ' 23' ' ' ASP . 7.7 pt-20 -147.85 -45.68 0.16 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.675 -1.266 . . . . 0.0 110.02 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.73 7.45 0.28 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' A' ' 21' ' ' GLU . 57.7 t0 -49.37 -61.88 1.85 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.285 . . . . 0.0 108.269 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.2 -178.43 5.65 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -129.25 48.87 2.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.51 145.82 51.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.76 -0.587 . . . . 0.0 109.717 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.7 142.49 51.36 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -94.67 158.99 15.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.079 -1.013 . . . . 0.0 109.924 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -63.04 -37.95 89.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.08 -43.67 95.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 111.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.25 -33.42 49.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.95 -1.094 . . . . 0.0 109.084 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.04 -43.27 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.51 -56.42 13.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.636 -1.29 . . . . 0.0 108.712 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.6 -34.03 7.32 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.498 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.86 -46.79 70.74 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.925 -1.109 . . . . 0.0 109.476 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.25 -35.15 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.818 -1.176 . . . . 0.0 109.768 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -68.07 -26.8 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 112.145 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.71 -18.86 13.72 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.956 -1.09 . . . . 0.0 111.66 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -102.37 -26.12 13.4 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.843 -1.161 . . . . 0.0 110.828 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mp -112.76 24.02 12.87 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 p -72.85 -26.02 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.485 -0.759 . . . . 0.0 109.734 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.9 -50.35 20.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.065 -1.022 . . . . 0.0 110.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLU . 79.6 m-85 -64.22 -25.58 68.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.145 -0.972 . . . . 0.0 109.669 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -16.88 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.287 -0.883 . . . . 0.0 109.174 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' PHE . 54.3 tt0 -82.93 -42.28 17.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 110.144 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 23.8 mt-10 -85.7 58.11 4.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.222 -0.924 . . . . 0.0 110.281 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.6 mm -117.38 104.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.515 -0.741 . . . . 0.0 109.058 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.93 -44.52 7.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.143 -0.973 . . . . 0.0 109.524 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLU . 16.7 tp10 -87.56 66.07 8.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.0 108.997 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.31 -20.99 0.06 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 110.69 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' GLU . 20.4 mt-10 -74.04 -24.73 59.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 111.031 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.75 -49.78 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.374 -1.454 . . . . 0.0 108.021 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.17 -33.49 58.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 108.56 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.47 -45.77 90.7 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' THR . 58.0 mttp -68.38 -27.24 66.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 109.706 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.22 -56.07 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.615 -1.303 . . . . 0.0 107.574 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -29.11 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.119 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.18 -38.7 16.15 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.03 -1.044 . . . . 0.0 109.151 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LYS . 53.2 m -66.6 -42.31 87.07 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.72 -57.65 6.0 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.874 -1.141 . . . . 0.0 108.295 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -50.73 -19.49 0.96 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.08 -1.012 . . . . 0.0 109.234 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.33 43.08 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.35 1.071 . . . . 0.0 108.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.621 ' C ' ' H ' ' A' ' 65' ' ' ASP . 39.8 t0 -44.22 -32.76 1.35 Allowed 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.405 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.12 -10.45 0.01 OUTLIER Glycine 0 N--CA 1.499 2.883 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.6 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.621 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.1 p30 -106.13 -31.48 8.68 Favored 'General case' 0 N--CA 1.512 2.645 0 CA-C-N 119.264 1.532 . . . . 0.0 112.022 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.63 -24.34 27.44 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 119.918 -1.738 . . . . 0.0 109.271 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.74 131.07 15.61 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.123 -1.222 . . . . 0.0 109.719 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 63' ' ' ASP . 10.8 m -105.31 126.92 52.65 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 109.441 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.14 -171.77 3.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.05 -36.12 64.34 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.2 -37.53 77.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.866 -1.146 . . . . 0.0 109.288 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -73.78 -24.99 59.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.282 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 10.2 t80 -76.32 -41.15 49.47 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.17 -26.74 67.56 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.639 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.31 42.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.368 -1.457 . . . . 0.0 110.02 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -64.1 -32.63 74.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.556 -1.34 . . . . 0.0 109.354 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.535 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -66.94 -35.65 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 109.23 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 p -71.51 -55.48 7.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.145 -0.972 . . . . 0.0 110.125 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.05 48.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 110.475 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.0 -42.78 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.076 -1.015 . . . . 0.0 109.875 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -68.64 -42.44 78.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.909 -1.119 . . . . 0.0 108.526 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -72.98 -20.4 61.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.525 -0.734 . . . . 0.0 109.742 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.2 51.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.009 -1.057 . . . . 0.0 108.577 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 21.3 m -74.37 143.57 44.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.583 -0.698 . . . . 0.0 109.257 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' PHE . 10.7 m-70 -55.71 -169.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.208 -0.932 . . . . 0.0 109.069 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -46.68 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.087 -1.008 . . . . 0.0 109.774 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -59.61 -24.12 63.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.0 109.073 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -50.67 -30.45 13.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 109.079 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -89.47 56.83 3.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.345 -0.847 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 94.2 m-70 -61.38 150.3 35.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.929 . . . . 0.0 109.372 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' CD ' ' N ' ' A' ' 91' ' ' GLU . 6.4 mp0 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.534 ' H1 ' ' CD ' ' B' ' 4' ' ' GLU . 26.2 ttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p -62.63 172.06 1.78 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.171 -0.956 . . . . 0.0 108.937 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.1 -34.51 78.21 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.53 -52.91 63.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.534 ' CD ' ' H1 ' ' B' ' 0' ' ' MET . 33.6 mt-10 -53.13 -47.04 68.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.948 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.68 -44.57 38.02 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.948 0.88 . . . . 0.0 109.341 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.77 -29.49 50.99 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.43 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -62.88 -47.08 84.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.647 -1.283 . . . . 0.0 108.575 179.561 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.02 -35.97 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.557 -0.714 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.83 76.24 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.877 -1.139 . . . . 0.0 109.22 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.87 -55.79 20.54 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.294 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.02 -43.08 67.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.919 -0.488 . . . . 0.0 110.389 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.794 -1.191 . . . . 0.0 110.569 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.67 -36.09 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.461 -1.399 . . . . 0.0 108.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -57.73 -31.85 66.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.001 -1.062 . . . . 0.0 108.346 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.09 -30.32 43.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 13.3 tm0? -54.81 -45.32 74.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.472 -0.767 . . . . 0.0 110.075 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 24.1 m-85 -74.98 -41.18 60.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 109.339 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' B' ' 18' ' ' SER . 15.2 p -97.25 57.57 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 109.54 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.52 -11.29 8.05 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.11 -29.71 69.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.982 . . . . 0.0 108.778 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' B' ' 23' ' ' ASP . 7.8 pt-20 -147.86 -45.78 0.16 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.572 -1.33 . . . . 0.0 109.977 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.75 7.37 0.28 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' B' ' 21' ' ' GLU . 57.7 t0 -49.31 -61.89 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 108.274 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.25 -178.49 5.65 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 1.0 OUTLIER -129.19 48.92 2.3 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.5 145.8 51.92 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.844 -0.535 . . . . 0.0 109.76 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.71 142.49 51.36 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -94.67 159.01 15.26 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.088 -1.008 . . . . 0.0 109.906 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -63.07 -37.93 89.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.379 -0.826 . . . . 0.0 110.258 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.14 -43.6 95.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.95 . . . . 0.0 111.346 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -78.23 -33.49 49.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.989 -1.07 . . . . 0.0 109.125 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.06 -43.27 92.82 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.44 -56.45 13.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.627 -1.296 . . . . 0.0 108.743 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.68 -33.95 7.51 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.488 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.89 -46.79 70.67 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.849 -1.157 . . . . 0.0 109.442 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.26 -35.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.903 -1.123 . . . . 0.0 109.751 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -67.99 -26.87 66.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 112.192 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.68 -18.83 13.73 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.993 -1.067 . . . . 0.0 111.654 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -102.38 -26.1 13.4 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.774 -1.204 . . . . 0.0 110.871 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.76 24.04 12.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.22 -0.925 . . . . 0.0 109.28 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -72.89 -26.0 61.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.495 -0.753 . . . . 0.0 109.718 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.96 -50.33 20.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.086 -1.009 . . . . 0.0 109.975 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.462 ' C ' ' N ' ' B' ' 45' ' ' GLU . 79.6 m-85 -64.28 -25.56 68.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.58 -16.83 0.07 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' B' ' 43' ' ' PHE . 54.3 tt0 -82.97 -42.27 17.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 110.109 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.501 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 23.8 mt-10 -85.69 58.1 4.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.265 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.401 HG21 HD11 ' B' ' 47' ' ' ILE . 37.5 mm -117.43 104.27 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.47 -0.769 . . . . 0.0 109.0 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.91 -44.63 7.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.175 -0.953 . . . . 0.0 109.461 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 51' ' ' GLU . 16.6 tp10 -87.53 66.06 8.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.105 -0.997 . . . . 0.0 109.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -45.24 -21.09 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.664 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 49' ' ' GLU . 20.4 mt-10 -74.03 -24.71 59.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 111.023 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.74 -49.84 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.336 -1.478 . . . . 0.0 107.979 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.12 -33.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.019 -1.051 . . . . 0.0 108.519 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.38 -45.8 90.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.489 -0.757 . . . . 0.0 109.448 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 59' ' ' THR . 58.0 mttp -68.46 -27.22 65.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 0.0 109.638 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.15 -56.17 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.657 -1.277 . . . . 0.0 107.58 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -29.16 20.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.462 -0.774 . . . . 0.0 109.109 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.19 -38.62 16.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.0 109.161 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.437 ' N ' ' O ' ' B' ' 55' ' ' LYS . 54.3 m -66.71 -42.24 86.67 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.74 -57.61 6.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 108.247 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.73 -19.49 0.97 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.244 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -101.25 43.05 1.08 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.369 1.081 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' B' ' 65' ' ' ASP . 40.1 t0 -44.18 -32.72 1.32 Allowed 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.064 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.1 -10.7 0.01 OUTLIER Glycine 0 N--CA 1.494 2.561 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.713 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.611 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.1 p30 -105.96 -31.61 8.69 Favored 'General case' 0 N--CA 1.51 2.566 0 CA-C-N 119.237 1.518 . . . . 0.0 111.973 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -24.47 26.78 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 119.872 -1.768 . . . . 0.0 109.216 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.69 130.99 15.58 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.127 -1.219 . . . . 0.0 109.702 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.439 ' SG ' ' CG ' ' B' ' 63' ' ' ASP . 10.8 m -105.31 126.95 52.67 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.12 -0.988 . . . . 0.0 109.454 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.17 -171.74 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.253 -0.904 . . . . 0.0 110.453 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.09 -36.06 64.24 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.26 -37.47 77.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.843 -1.161 . . . . 0.0 109.282 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -73.8 -25.03 59.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.061 -1.025 . . . . 0.0 110.253 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 10.2 t80 -76.36 -41.04 49.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.25 -26.69 67.48 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.354 -1.466 . . . . 0.0 108.649 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.06 -45.24 42.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.346 -1.471 . . . . 0.0 110.028 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.1 -32.68 74.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.579 -1.326 . . . . 0.0 109.321 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.547 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.2 t -66.89 -35.7 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.244 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 p -71.46 -55.54 7.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.143 -0.973 . . . . 0.0 110.161 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.03 48.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.14 -0.975 . . . . 0.0 110.524 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.98 -42.8 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.076 -1.015 . . . . 0.0 109.863 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.9 m -68.71 -42.37 77.79 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.899 -1.125 . . . . 0.0 108.53 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -72.99 -20.43 61.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.538 -0.726 . . . . 0.0 109.731 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.4 -30.23 51.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.068 -1.02 . . . . 0.0 108.557 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 21.2 m -74.34 143.51 44.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.605 -0.685 . . . . 0.0 109.322 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' B' ' 87' ' ' PHE . 10.6 m-70 -55.68 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.167 -0.958 . . . . 0.0 109.024 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -46.69 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 0.0 109.746 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' HIS . 0.9 OUTLIER -59.61 -24.03 63.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.192 -0.943 . . . . 0.0 109.111 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -50.73 -30.46 13.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.141 -0.975 . . . . 0.0 109.076 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -89.46 56.75 3.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.391 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 94.3 m-70 -61.29 150.26 35.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.385 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.412 ' CD ' ' N ' ' B' ' 91' ' ' GLU . 6.4 mp0 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.056 -0.974 . . . . 0.0 109.369 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.548 ' H2 ' ' CE1' ' B' ' 42' ' ' HIS . 8.8 ptt? . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 54.2 p -65.1 170.38 4.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.41 -33.39 67.82 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.41 -49.97 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.863 . . . . 0.0 109.8 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -52.82 -48.2 67.12 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.855 -1.153 . . . . 0.0 109.086 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.59 -43.19 46.14 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.651 0.739 . . . . 0.0 109.724 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.02 49.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.758 -0.589 . . . . 0.0 110.5 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.37 -47.74 82.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.632 -1.292 . . . . 0.0 107.855 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.76 -37.26 77.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.525 -0.734 . . . . 0.0 109.115 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.09 79.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.282 -0.886 . . . . 0.0 108.704 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.25 -47.24 24.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 108.853 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.7 -43.37 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.89 -50.5 34.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.559 0.695 . . . . 0.0 110.045 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -76.59 -33.9 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.6 -0.688 . . . . 0.0 111.106 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.45 -34.56 75.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.27 -1.519 . . . . 0.0 108.894 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.09 -32.45 33.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.444 -0.785 . . . . 0.0 110.067 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -54.09 -45.87 71.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.39 -47.81 53.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.019 -1.051 . . . . 0.0 109.234 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.3 p -100.07 60.95 1.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.37 -0.831 . . . . 0.0 110.045 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.01 -13.12 5.57 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -66.07 -29.55 69.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -1.044 . . . . 0.0 109.01 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.5 pt-20 -147.6 -45.7 0.17 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.611 -1.306 . . . . 0.0 109.504 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.38 18.02 0.09 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.9 m-20 -48.16 -53.95 15.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.15 -1.206 . . . . 0.0 108.302 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.73 -179.96 5.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -132.84 45.59 2.72 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -137.47 150.14 47.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.609 -0.682 . . . . 0.0 109.427 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.12 142.18 47.7 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.316 -0.865 . . . . 0.0 108.917 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -93.27 149.51 21.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.102 -0.999 . . . . 0.0 109.219 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -54.77 -38.67 67.51 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.755 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HG ' ' H ' ' A' ' 31' ' ' GLU . 95.7 p -61.8 -45.16 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 110.547 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' H ' ' HG ' ' A' ' 30' ' ' SER . 21.3 mm-40 -80.33 -36.71 33.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.933 -1.104 . . . . 0.0 108.678 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.71 -43.2 94.21 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.76 -55.66 21.21 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.705 -1.247 . . . . 0.0 108.757 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.91 -35.53 10.71 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.464 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.19 -38.86 86.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.963 -1.086 . . . . 0.0 109.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -59.85 -33.94 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.661 -1.274 . . . . 0.0 109.601 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.79 -55.68 15.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.409 -0.807 . . . . 0.0 111.993 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.82 5.52 18.49 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.046 -1.034 . . . . 0.0 111.867 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.49 -26.84 4.51 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.988 -1.07 . . . . 0.0 110.709 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.53 23.57 11.43 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.01 -28.08 63.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 109.565 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.547 ' CE1' ' H2 ' ' B' ' 0' ' ' MET . 15.6 m80 -73.88 -49.72 23.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.0 109.464 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.21 -18.67 64.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.93 . . . . 0.0 109.401 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -48.27 -51.55 25.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 110.294 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.43 -29.88 64.53 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.193 -0.942 . . . . 0.0 109.697 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.84 59.83 3.76 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.273 -0.892 . . . . 0.0 110.726 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.423 HD11 HG22 ' A' ' 47' ' ' ILE . 88.0 mt -124.17 115.09 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.377 -0.827 . . . . 0.0 108.796 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.67 -47.65 6.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.045 -1.034 . . . . 0.0 109.098 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.78 106.87 17.99 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.347 -0.845 . . . . 0.0 109.265 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.23 -23.5 35.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.01 -22.81 59.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.34 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -75.57 -50.24 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 120.62 -1.3 . . . . 0.0 107.946 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.33 -33.32 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.946 -1.096 . . . . 0.0 108.853 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.14 -44.34 95.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.623 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.0 -26.55 65.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.841 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.21 -55.76 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.75 -1.219 . . . . 0.0 108.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.74 -25.15 17.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.375 -0.828 . . . . 0.0 110.293 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.82 -34.13 21.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.8 -1.188 . . . . 0.0 109.23 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.0 p -67.84 -48.5 66.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.797 -1.189 . . . . 0.0 107.926 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.3 mt -60.13 -57.67 11.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.645 -1.284 . . . . 0.0 108.474 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.61 -23.98 2.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.018 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -101.07 41.17 1.2 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.308 1.052 . . . . 0.0 108.847 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 65' ' ' ASP . 47.5 t0 -43.98 -41.21 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.142 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 -8.32 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.816 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' A' ' 63' ' ' ASP . 91.6 m-20 -108.56 -8.7 15.45 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-N 119.216 1.508 . . . . 0.0 112.471 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.42 -28.63 2.66 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 119.733 -1.854 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.24 132.89 15.83 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.914 -1.345 . . . . 0.0 110.53 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.2 127.34 51.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.279 -0.888 . . . . 0.0 109.045 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 44.5 t0 -84.58 -174.5 5.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.219 -0.925 . . . . 0.0 109.893 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.48 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 23.6 t80 -74.52 -32.56 62.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.352 -0.842 . . . . 0.0 109.068 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -56.98 -37.65 71.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.905 -1.122 . . . . 0.0 108.733 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.48 -24.89 61.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.491 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 47.8 t80 -76.6 -39.52 52.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.099 -1.0 . . . . 0.0 109.134 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.74 -33.53 72.58 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.492 -1.38 . . . . 0.0 109.006 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.16 4.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.208 -1.558 . . . . 0.0 110.368 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.07 -33.92 65.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.687 -1.258 . . . . 0.0 109.158 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.491 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 23.7 t -64.66 -35.26 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 108.811 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.6 p -68.16 -52.38 35.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 0.0 109.461 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.14 -41.54 49.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 0.0 110.324 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.41 -50.58 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.3 m -57.15 -43.9 82.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.417 -0.802 . . . . 0.0 109.786 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.476 ' HG1' ' H ' ' A' ' 83' ' ' ALA . 11.1 p -59.88 -49.82 76.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.543 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' H ' ' HG1' ' A' ' 82' ' ' THR . . . -53.35 -14.23 0.71 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.881 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 25.1 m -77.52 -12.12 59.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.031 -1.043 . . . . 0.0 109.396 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.422 ' C ' ' H ' ' A' ' 87' ' ' PHE . 54.3 m80 50.48 -162.95 0.05 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 54.37 10.48 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 109.599 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 85' ' ' HIS . 6.1 t80 -61.32 -55.1 35.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.152 -0.968 . . . . 0.0 108.925 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -88.49 -33.01 17.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.363 -0.835 . . . . 0.0 108.898 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . 54.2 mm-40 -99.81 60.43 1.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.408 -0.807 . . . . 0.0 109.239 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.42 66.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 109.237 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' GLU . 37.1 tp10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.923 -1.036 . . . . 0.0 109.524 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.547 ' H2 ' ' CE1' ' A' ' 42' ' ' HIS . 8.8 ptt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.431 ' OG ' ' OE2' ' B' ' 4' ' ' GLU . 54.2 p -65.18 170.37 4.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.239 -0.913 . . . . 0.0 109.224 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.32 -33.46 67.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.183 -0.948 . . . . 0.0 109.432 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.44 -49.89 71.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.814 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.431 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 0.6 OUTLIER -52.86 -48.16 67.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.838 -1.164 . . . . 0.0 109.076 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.66 -43.18 46.86 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.701 0.762 . . . . 0.0 109.715 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.17 -31.07 49.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.662 -0.649 . . . . 0.0 110.52 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.36 -47.73 82.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.689 -1.257 . . . . 0.0 107.839 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.8 -37.2 77.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.507 -0.745 . . . . 0.0 109.123 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.03 79.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 108.694 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.3 -47.23 25.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 0.0 108.86 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.71 -43.33 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.88 -50.49 34.68 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.569 0.699 . . . . 0.0 110.055 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.64 -33.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.594 -0.692 . . . . 0.0 111.09 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.54 -34.54 75.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.258 -1.526 . . . . 0.0 108.824 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.12 -32.43 33.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 110.073 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -54.06 -45.87 71.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.761 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.43 -47.88 53.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -100.0 60.97 1.09 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.416 -0.803 . . . . 0.0 110.065 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.02 -13.02 5.6 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -66.13 -29.62 69.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.385 -1.067 . . . . 0.0 108.961 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 23' ' ' ASP . 15.6 pt-20 -147.56 -45.74 0.17 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.607 -1.308 . . . . 0.0 109.513 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.51 18.0 0.1 OUTLIER Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.9 m-20 -48.24 -53.88 15.53 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.157 -1.202 . . . . 0.0 108.296 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.67 -179.97 5.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.87 45.58 2.72 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -137.46 150.15 47.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.631 . . . . 0.0 109.429 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.16 142.18 47.72 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.365 -0.835 . . . . 0.0 108.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -93.21 149.49 21.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.129 -0.982 . . . . 0.0 109.275 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -54.76 -38.71 67.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.083 -1.01 . . . . 0.0 109.733 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.442 ' HG ' ' H ' ' B' ' 31' ' ' GLU . 95.9 p -61.84 -45.06 95.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 110.565 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.442 ' H ' ' HG ' ' B' ' 30' ' ' SER . 21.2 mm-40 -80.37 -36.67 33.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.006 -1.059 . . . . 0.0 108.657 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.79 -43.15 94.56 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.402 ' CB ' ' HZ1' ' B' ' 33' ' ' LYS . 6.9 ttpm? -52.7 -55.74 20.5 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.746 -1.222 . . . . 0.0 108.78 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.89 -35.55 10.66 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.488 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.13 -38.9 86.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.925 -1.109 . . . . 0.0 109.878 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -59.83 -33.89 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.685 -1.259 . . . . 0.0 109.628 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -55.69 15.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.964 -177.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.76 5.5 18.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.032 -1.042 . . . . 0.0 111.87 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -122.51 -26.91 4.49 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.955 -1.091 . . . . 0.0 110.704 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -118.51 23.64 11.39 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.238 -0.914 . . . . 0.0 109.225 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -27.99 63.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 0.0 109.582 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.548 ' CE1' ' H2 ' ' A' ' 0' ' ' MET . 15.7 m80 -73.88 -49.77 23.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.506 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -64.12 -18.67 64.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.32 -51.55 25.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.796 . . . . 0.0 110.275 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.39 -29.92 64.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.231 -0.918 . . . . 0.0 109.723 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.82 59.82 3.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 110.776 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.14 115.05 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.359 -0.838 . . . . 0.0 108.861 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.59 -47.63 7.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.976 -1.077 . . . . 0.0 109.156 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.81 106.87 18.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.361 -0.837 . . . . 0.0 109.247 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.22 -23.47 35.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.663 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.06 -22.78 59.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.363 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -75.59 -50.28 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.671 -1.268 . . . . 0.0 107.959 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.3 -33.29 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.976 -1.078 . . . . 0.0 108.893 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -60.1 -44.29 94.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.697 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.06 -26.52 65.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 109.824 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.24 -55.75 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.718 -1.239 . . . . 0.0 108.405 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.75 -25.12 17.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.84 -34.1 21.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.765 -1.21 . . . . 0.0 109.289 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -67.82 -48.59 65.81 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.76 -1.212 . . . . 0.0 107.939 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.1 -57.64 11.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.689 -1.257 . . . . 0.0 108.483 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.6 -23.95 2.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.116 -0.99 . . . . 0.0 108.979 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.97 41.1 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.314 1.054 . . . . 0.0 109.156 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.624 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.7 t0 -44.06 -41.11 5.28 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.7 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.06 -8.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.911 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.624 ' H ' ' C ' ' B' ' 63' ' ' ASP . 91.5 m-20 -108.45 -8.69 15.52 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 119.11 1.455 . . . . 0.0 112.626 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.45 -28.81 2.64 Favored Glycine 0 N--CA 1.492 2.421 0 O-C-N 119.66 -1.9 . . . . 0.0 110.355 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.14 132.84 15.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.91 -1.347 . . . . 0.0 110.479 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.22 127.4 51.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.234 -0.916 . . . . 0.0 109.074 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 44.4 t0 -84.56 -174.49 5.3 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.191 -0.943 . . . . 0.0 109.857 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.477 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 23.4 t80 -74.56 -32.57 62.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.0 109.072 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -56.95 -37.67 71.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.006 -1.058 . . . . 0.0 108.787 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.4 -25.05 61.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.495 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 47.6 t80 -76.57 -39.45 52.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 109.148 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.539 -1.351 . . . . 0.0 109.027 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.85 -56.18 4.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.18 -1.575 . . . . 0.0 110.363 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -55.98 -33.99 65.32 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 109.138 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.495 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 23.5 t -64.63 -35.28 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 108.75 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.8 p -68.14 -52.44 34.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.0 109.455 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.1 -41.55 48.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.0 110.321 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -73.47 -50.5 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.682 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 35.8 m -57.18 -43.89 83.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 0.0 109.735 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.472 ' HG1' ' H ' ' B' ' 83' ' ' ALA . 10.9 p -59.83 -49.9 75.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.152 -0.967 . . . . 0.0 109.525 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.472 ' H ' ' HG1' ' B' ' 82' ' ' THR . . . -53.31 -14.28 0.7 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.878 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 m -77.49 -12.12 59.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.102 -0.999 . . . . 0.0 109.421 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.418 ' C ' ' H ' ' B' ' 87' ' ' PHE . 54.4 m80 50.52 -162.93 0.06 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 54.34 10.46 0.32 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.892 . . . . 0.0 109.618 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.418 ' H ' ' C ' ' B' ' 85' ' ' HIS . 6.1 t80 -61.28 -55.16 35.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.162 -0.961 . . . . 0.0 108.885 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.45 -33.0 18.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.322 -0.862 . . . . 0.0 108.922 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 91' ' ' GLU . 54.1 mm-40 -99.76 60.41 1.11 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.456 -0.778 . . . . 0.0 109.163 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -66.48 66.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.199 -0.938 . . . . 0.0 109.19 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 89' ' ' GLU . 37.0 tp10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.462 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p -62.28 172.6 1.42 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.069 -1.019 . . . . 0.0 109.102 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.446 HE21 ' CG ' ' A' ' 54' ' ' ASP . 45.7 tp60 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' CG ' HE21 ' A' ' 50' ' ' GLN . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 59' ' ' THR . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.616 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.616 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.462 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.1 -26.4 37.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' ND1' ' A' ' 85' ' ' HIS . 42.7 t -75.0 151.87 38.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.043 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' ND1' ' SG ' ' A' ' 84' ' ' CYS . 34.8 p-80 -49.86 177.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.23 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.296 -0.877 . . . . 0.0 109.787 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 20.0 p90 -61.51 -24.45 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.696 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 54.4 m-85 -50.77 -38.92 50.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.094 -1.004 . . . . 0.0 109.013 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' A' ' 91' ' ' GLU . 5.1 mp0 -84.98 67.31 10.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.81 . . . . 0.0 109.1 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.18 35.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p -62.34 172.56 1.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.045 -1.034 . . . . 0.0 109.018 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.485 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.444 HE21 ' CG ' ' B' ' 54' ' ' ASP . 45.8 tp60 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.444 ' CG ' HE21 ' B' ' 50' ' ' GLN . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' B' ' 59' ' ' THR . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' B' ' 55' ' ' LYS . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.467 ' O ' ' CG2' ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.14 -26.34 37.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.504 ' SG ' ' ND1' ' B' ' 85' ' ' HIS . 42.5 t -75.15 151.89 38.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.333 -0.855 . . . . 0.0 108.996 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' ND1' ' SG ' ' B' ' 84' ' ' CYS . 34.9 p-80 -49.9 177.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.113 -0.992 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.24 100.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.234 -0.916 . . . . 0.0 109.802 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 20.2 p90 -61.5 -24.42 66.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 54.2 m-85 -50.81 -38.85 50.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.104 -0.997 . . . . 0.0 109.03 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.474 ' C ' ' H ' ' B' ' 91' ' ' GLU . 5.1 mp0 -85.04 67.32 10.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.431 -0.793 . . . . 0.0 109.087 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -75.19 35.38 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' B' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.401 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 8.9 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.7 -34.24 62.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 0.0 109.477 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.2 tt -63.1 -48.51 78.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.739 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.421 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -51.58 -47.02 63.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.961 -1.087 . . . . 0.0 109.067 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.16 -43.35 41.79 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.802 0.81 . . . . 0.0 109.433 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.12 -31.05 49.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.828 -0.545 . . . . 0.0 110.385 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 tpt -61.18 -47.62 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.716 -1.24 . . . . 0.0 108.262 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.97 -35.6 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.356 -0.84 . . . . 0.0 109.041 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.52 -47.11 82.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.879 . . . . 0.0 108.94 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.14 -47.84 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.982 . . . . 0.0 108.642 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.85 -44.35 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.74 -50.19 45.24 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.405 0.621 . . . . 0.0 110.192 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.64 -35.67 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.448 -0.783 . . . . 0.0 111.177 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.86 -33.9 76.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.245 -1.534 . . . . 0.0 108.645 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.36 -33.09 55.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.639 -0.663 . . . . 0.0 110.047 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.43 -44.54 72.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 109.961 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.43 -44.17 65.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.979 -1.076 . . . . 0.0 109.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.6 61.0 1.34 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.303 -0.873 . . . . 0.0 110.253 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.57 -10.37 9.45 Favored Glycine 0 N--CA 1.502 3.081 0 N-CA-C 107.69 -2.164 . . . . 0.0 107.69 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -65.32 -32.76 74.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.573 -0.957 . . . . 0.0 109.363 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 23.4 mt-10 -146.49 -45.19 0.19 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.604 -1.31 . . . . 0.0 110.184 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.18 11.0 0.19 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.2 m-20 -49.17 -57.18 7.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.067 -1.255 . . . . 0.0 108.545 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.38 -178.23 5.3 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -130.31 46.55 2.64 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.54 149.72 52.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.834 -0.541 . . . . 0.0 109.659 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -123.64 140.0 53.43 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.39 153.92 20.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.971 -1.08 . . . . 0.0 109.658 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 30' ' ' SER . 37.6 pttt -62.7 -42.38 99.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.125 -0.984 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.48 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 23.1 t -55.96 -39.59 71.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.0 110.358 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.13 -33.9 26.18 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.976 -1.078 . . . . 0.0 108.45 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 32' ' ' LEU . 5.2 tt -60.19 -48.13 83.02 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.17 -55.94 17.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.513 -1.367 . . . . 0.0 108.688 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.46 -35.87 9.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 109.318 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -37.85 89.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.866 -1.146 . . . . 0.0 108.276 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.01 -35.03 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.854 -1.154 . . . . 0.0 109.209 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.95 -24.97 66.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.387 -0.821 . . . . 0.0 111.31 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 40.4 t-20 -118.31 4.4 11.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.228 -0.92 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' O ' HD22 ' A' ' 40' ' ' LEU . 6.1 tp10 -123.95 -27.02 3.97 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.188 -0.945 . . . . 0.0 110.525 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 39' ' ' GLU . 3.9 mm? -117.58 13.47 14.32 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.346 -0.846 . . . . 0.0 109.168 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.33 -25.98 61.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -74.2 -50.1 20.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 110.249 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.32 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 109.979 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 47' ' ' ILE . 32.7 tp -48.48 -28.37 3.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.279 -0.888 . . . . 0.0 109.966 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -74.56 -38.26 62.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.931 -1.105 . . . . 0.0 110.027 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -90.48 55.59 3.07 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.219 -0.926 . . . . 0.0 110.857 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 48' ' ' LYS . 52.7 mt -128.8 162.98 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 47' ' ' ILE . 74.8 tttt -143.05 -46.26 0.3 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.803 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.68 60.23 0.34 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.023 -1.048 . . . . 0.0 109.171 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.8 mm100 -44.82 -27.88 0.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.21 -23.33 61.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.34 -48.05 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.67 -35.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 120.896 -1.127 . . . . 0.0 108.945 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.84 -44.54 82.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.88 -26.47 63.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.199 -0.938 . . . . 0.0 109.748 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.7 -57.55 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 120.677 -1.264 . . . . 0.0 108.207 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.58 -27.05 15.21 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.303 -0.873 . . . . 0.0 109.758 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.25 -32.8 22.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.947 -1.096 . . . . 0.0 108.634 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.0 m -69.09 -45.14 71.02 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 76' ' ' PHE . 3.2 mm? -58.86 -58.65 7.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.561 -1.337 . . . . 0.0 108.184 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.93 -23.46 5.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 0.0 109.326 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -101.91 39.92 1.4 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.217 1.008 . . . . 0.0 109.423 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.574 ' C ' ' H ' ' A' ' 65' ' ' ASP . 15.5 t0 -44.79 -39.19 5.05 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.626 0.727 . . . . 0.0 109.978 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 -7.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.576 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 63' ' ' ASP . 14.3 t70 -107.56 -8.41 16.2 Favored 'General case' 0 N--CA 1.512 2.663 0 CA-C-N 119.081 1.44 . . . . 0.0 112.303 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 -28.48 2.55 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 119.714 -1.867 . . . . 0.0 110.449 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -151.3 133.48 15.25 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.898 -1.354 . . . . 0.0 110.226 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.3 m -104.77 126.87 52.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.287 -0.883 . . . . 0.0 109.037 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.37 5.09 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.57 -32.66 64.27 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.82 -36.61 77.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 108.914 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.58 -26.31 61.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -0.955 . . . . 0.0 109.787 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 77' ' ' VAL . 80.9 t80 -75.68 -39.47 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.282 -0.886 . . . . 0.0 109.193 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.84 -28.65 67.74 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.425 -1.422 . . . . 0.0 108.634 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.91 -54.83 6.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.251 -1.531 . . . . 0.0 110.232 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 60' ' ' LEU . 37.2 m-85 -56.95 -32.99 66.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.609 -1.307 . . . . 0.0 109.385 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' PHE . 49.5 t -68.66 -34.76 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.6 p -70.29 -52.98 18.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 109.844 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' ALA . 13.8 mtt -51.46 -50.99 58.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.022 -1.049 . . . . 0.0 109.805 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.6 t -59.62 -42.4 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -69.61 -47.97 61.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.983 . . . . 0.0 108.888 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -72.82 -17.03 61.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 109.832 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.02 . . . . 0.0 108.799 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 4' ' ' GLU . 8.8 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 0.7 OUTLIER -54.66 -34.24 61.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.2 tt -63.1 -48.46 78.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 0.0 109.742 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -51.64 -47.01 63.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.986 -1.071 . . . . 0.0 109.031 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.05 -43.46 40.85 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.829 0.823 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.06 -31.09 50.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.801 -0.562 . . . . 0.0 110.403 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 tpt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.735 -1.228 . . . . 0.0 108.19 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.96 -35.52 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.398 -0.814 . . . . 0.0 109.061 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.13 82.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 108.92 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.07 -47.88 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -44.38 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.73 -50.25 44.85 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.59 -35.6 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 111.212 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.9 -33.95 76.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.237 -1.539 . . . . 0.0 108.58 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -77.36 -33.04 55.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.605 -0.684 . . . . 0.0 110.085 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.54 72.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 109.966 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.44 -44.18 65.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.088 . . . . 0.0 109.202 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.57 60.98 1.34 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.335 -0.853 . . . . 0.0 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.62 -10.31 9.46 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 107.708 -2.157 . . . . 0.0 107.708 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -65.4 -32.72 74.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.561 -0.964 . . . . 0.0 109.362 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 23' ' ' ASP . 23.3 mt-10 -146.46 -45.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.611 -1.306 . . . . 0.0 110.229 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.23 10.92 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.2 m-20 -49.12 -57.27 6.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.052 -1.263 . . . . 0.0 108.469 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.34 -178.19 5.3 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -130.34 46.53 2.64 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.6 149.7 52.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.525 . . . . 0.0 109.683 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 tp -123.6 140.0 53.44 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.44 153.95 20.76 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.944 -1.097 . . . . 0.0 109.62 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' B' ' 30' ' ' SER . 37.5 pttt -62.67 -42.44 99.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.097 -1.002 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 23.0 t -55.99 -39.58 72.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.361 -0.837 . . . . 0.0 110.317 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -83.18 -33.82 26.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.013 -1.054 . . . . 0.0 108.445 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 32' ' ' LEU . 5.2 tt -60.24 -48.16 82.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.15 -55.84 18.39 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.524 -1.36 . . . . 0.0 108.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.61 -35.8 9.82 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 109.279 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.95 -37.87 89.08 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.902 -1.124 . . . . 0.0 108.32 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 mt -63.98 -35.0 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.864 -1.148 . . . . 0.0 109.251 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.96 -24.99 66.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.781 . . . . 0.0 111.322 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 40.2 t-20 -118.26 4.43 11.91 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.205 -0.935 . . . . 0.0 110.552 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.436 ' O ' HD22 ' B' ' 40' ' ' LEU . 6.1 tp10 -124.0 -27.01 3.95 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.192 -0.942 . . . . 0.0 110.492 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.436 HD22 ' O ' ' B' ' 39' ' ' GLU . 3.9 mm? -117.58 13.5 14.33 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.361 -0.837 . . . . 0.0 109.147 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.43 -25.93 61.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 110.176 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -74.16 -50.15 20.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.096 -1.003 . . . . 0.0 110.268 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -66.25 -19.92 65.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.965 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' B' ' 47' ' ' ILE . 32.8 tp -48.44 -28.38 3.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 0.0 109.994 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -74.51 -38.23 62.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.915 -1.116 . . . . 0.0 110.11 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -90.57 55.68 3.07 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.188 -0.945 . . . . 0.0 110.822 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.502 HG22 ' N ' ' B' ' 48' ' ' LYS . 52.1 mt -128.91 162.94 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.502 ' N ' HG22 ' B' ' 47' ' ' ILE . 74.8 tttt -143.01 -46.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.2 -0.938 . . . . 0.0 109.814 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.75 60.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.0 -1.062 . . . . 0.0 109.141 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' B' ' 48' ' ' LYS . 20.8 mm100 -44.87 -27.88 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.367 -0.833 . . . . 0.0 110.506 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.19 -23.39 61.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.089 -1.007 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -73.32 -48.0 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 107.574 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.66 -35.82 74.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.996 -1.065 . . . . 0.0 108.91 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.82 -44.5 82.08 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.502 -0.749 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.96 -26.39 63.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.19 -0.944 . . . . 0.0 109.746 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.74 -57.53 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.663 -1.273 . . . . 0.0 108.184 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.62 -27.01 15.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.732 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.34 -32.84 22.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.919 -1.113 . . . . 0.0 108.57 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.0 m -69.02 -45.16 71.21 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' B' ' 76' ' ' PHE . 3.2 mm? -58.86 -58.64 7.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.564 -1.335 . . . . 0.0 108.201 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.84 -23.48 4.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.35 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -101.95 40.03 1.39 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.28 1.038 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' B' ' 65' ' ' ASP . 15.2 t0 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.275 -2.641 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.491 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.81 -7.79 0.01 OUTLIER Glycine 0 N--CA 1.49 2.266 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.684 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' B' ' 63' ' ' ASP . 14.3 t70 -107.58 -8.35 16.2 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.794 -1.415 . . . . 0.0 112.368 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.11 -28.58 2.56 Favored Glycine 0 N--CA 1.492 2.394 0 O-C-N 119.664 -1.898 . . . . 0.0 110.395 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -151.28 133.43 15.24 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.908 -1.348 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 80.4 m -104.74 126.86 52.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.295 -0.878 . . . . 0.0 109.01 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.44 5.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.18 -0.95 . . . . 0.0 110.139 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.51 -32.7 64.39 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.78 -36.69 77.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.866 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.56 -26.34 61.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.757 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.484 ' O ' HG23 ' B' ' 77' ' ' VAL . 80.9 t80 -75.6 -39.57 57.78 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.311 -0.868 . . . . 0.0 109.195 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.83 -28.68 67.78 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.399 -1.438 . . . . 0.0 108.618 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.83 -54.86 6.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.351 -1.468 . . . . 0.0 110.28 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' B' ' 60' ' ' LEU . 37.6 m-85 -56.92 -32.99 66.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.504 -1.373 . . . . 0.0 109.362 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 73' ' ' PHE . 49.2 t -68.68 -34.8 66.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.264 -0.897 . . . . 0.0 109.055 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.6 p -70.25 -53.01 18.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.896 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 13.9 mtt -51.36 -51.1 57.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.003 -1.061 . . . . 0.0 109.789 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.58 -42.38 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 109.542 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -48.0 61.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 108.859 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -72.87 -16.98 61.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.811 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.035 . . . . 0.0 108.847 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 20' ' ' ARG . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 76' ' ' PHE . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 60' ' ' LEU . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 43' ' ' PHE . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.478 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.461 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.468 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 32' ' ' LEU . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CE2' HG23 ' B' ' 81' ' ' THR . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' B' ' 76' ' ' PHE . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.587 ' O ' HG23 ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' B' ' 60' ' ' LEU . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.45 HG23 ' CE2' ' B' ' 43' ' ' PHE . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -62.15 -33.47 74.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.965 . . . . 0.0 109.429 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.7 tt -63.26 -53.23 56.21 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 109.708 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.08 -47.82 65.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.657 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.88 -40.25 42.18 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.795 0.807 . . . . 0.0 109.55 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.13 -27.91 54.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.873 -0.517 . . . . 0.0 110.884 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.66 -46.15 89.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.725 -1.234 . . . . 0.0 108.556 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 8' ' ' VAL . 3.0 t -69.74 -35.46 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.497 -0.752 . . . . 0.0 110.003 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.57 77.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.52 -57.74 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.009 0.909 . . . . 0.0 110.133 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.77 -40.05 41.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.544 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.74 -37.67 76.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.927 -1.108 . . . . 0.0 109.906 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.91 -41.38 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.693 -1.254 . . . . 0.0 108.544 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.78 -34.56 74.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.832 -1.168 . . . . 0.0 108.407 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -76.52 -31.58 57.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.785 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.17 -43.4 67.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.78 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.24 -44.62 64.96 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.077 -1.014 . . . . 0.0 109.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -97.35 58.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.327 -0.858 . . . . 0.0 110.149 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.79 -15.09 6.42 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.059 -2.016 . . . . 0.0 108.059 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -63.28 -32.29 73.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.48 -1.012 . . . . 0.0 109.041 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 51.3 mt-10 -147.29 -44.91 0.17 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.679 -1.263 . . . . 0.0 109.018 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.93 17.39 0.09 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 77.5 m-20 -48.22 -57.21 6.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -1.109 . . . . 0.0 108.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 24' ' ' LYS . 9.9 mptt -92.09 176.57 6.45 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 39.3 p-80 -125.41 50.31 1.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -131.52 146.18 52.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.846 -0.534 . . . . 0.0 109.605 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' CYS . 16.1 tp -122.79 144.31 49.27 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -94.14 152.19 18.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.104 -0.997 . . . . 0.0 110.009 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.4 -38.79 74.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 110.219 179.391 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.405 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 p -60.19 -40.72 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -79.0 -33.61 44.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 0.0 108.738 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.52 -58.28 7.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.671 -1.268 . . . . 0.0 108.744 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.66 -38.47 55.04 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.95 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.48 -37.87 80.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.123 -0.986 . . . . 0.0 109.612 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.74 -33.87 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 108.638 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.56 -55.77 18.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.542 -0.724 . . . . 0.0 111.678 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.74 5.99 12.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.926 -1.108 . . . . 0.0 111.639 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -122.41 -26.8 4.55 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.992 -1.067 . . . . 0.0 110.412 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.53 24.32 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.124 -0.985 . . . . 0.0 109.875 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.0 -26.18 61.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.181 -0.95 . . . . 0.0 109.808 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -73.17 -50.86 20.24 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.973 -1.08 . . . . 0.0 109.745 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.67 -17.17 60.05 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.29 -0.881 . . . . 0.0 109.346 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.77 -35.04 21.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.766 . . . . 0.0 109.793 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.46 -38.0 68.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.866 -1.146 . . . . 0.0 109.956 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -85.56 59.25 5.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.84 109.39 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.28 -0.887 . . . . 0.0 109.288 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.25 -44.98 9.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.164 -0.96 . . . . 0.0 109.233 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 37.8 mp0 -86.41 103.64 15.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.332 -0.855 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.66 -24.1 39.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 0.0 109.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -74.32 -22.94 59.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.826 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.64 -47.84 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.43 . . . . 0.0 107.727 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -63.29 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.939 -1.101 . . . . 0.0 108.931 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.55 -46.05 90.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.382 -0.824 . . . . 0.0 109.536 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' O ' ' OG1' ' A' ' 59' ' ' THR . 69.8 mmtt -69.49 -26.74 64.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.453 -0.78 . . . . 0.0 109.889 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.48 -56.91 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 108.428 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.43 -26.17 40.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 110.343 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.82 -35.07 20.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.882 -1.136 . . . . 0.0 109.32 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.8 m -68.64 -43.78 75.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.685 -1.259 . . . . 0.0 108.271 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.76 -56.99 14.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.792 -1.192 . . . . 0.0 108.264 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.79 -20.78 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 0.0 109.053 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.3 41.62 1.21 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 122.14 0.971 . . . . 0.0 109.356 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' A' ' 65' ' ' ASP . 32.1 t0 -43.38 -32.31 0.82 Allowed 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.83 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.0 -10.4 0.01 OUTLIER Glycine 0 N--CA 1.498 2.786 0 O-C-N 122.01 -0.431 . . . . 0.0 112.5 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.9 p30 -108.75 -31.7 7.61 Favored 'General case' 0 N--CA 1.515 2.824 0 CA-C-N 119.434 1.617 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.86 23.23 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 119.792 -1.818 . . . . 0.0 109.65 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 46.5 mt-10 -147.37 131.26 17.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.124 -1.221 . . . . 0.0 109.509 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . 3.6 m -105.0 126.88 52.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.191 -0.943 . . . . 0.0 109.192 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.65 -174.36 5.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.907 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.52 -32.6 62.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 108.782 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.75 -37.75 74.18 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.963 -1.086 . . . . 0.0 109.02 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.62 61.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.012 -1.055 . . . . 0.0 109.58 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -72.93 -40.58 65.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.059 -1.026 . . . . 0.0 109.056 178.289 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.59 -53.92 16.54 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.198 -1.564 . . . . 0.0 109.435 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.95 -50.17 67.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.173 -1.579 . . . . 0.0 111.218 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.65 -34.37 78.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.659 -1.276 . . . . 0.0 109.839 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 73' ' ' PHE . 19.7 t -67.15 -35.99 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.131 -0.981 . . . . 0.0 108.858 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 p -65.5 -50.42 65.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.099 -1.001 . . . . 0.0 109.286 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.6 mtp -50.82 -38.43 48.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.341 -0.849 . . . . 0.0 110.562 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.0 t -72.19 -39.06 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.99 -1.069 . . . . 0.0 109.783 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.65 -45.68 74.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.047 . . . . 0.0 108.588 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.96 -18.06 61.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.474 -0.766 . . . . 0.0 109.729 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.205 -0.934 . . . . 0.0 109.049 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -62.17 -33.51 74.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.385 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.467 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.7 tt -63.25 -53.21 56.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 109.735 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.09 -47.83 65.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.01 -1.056 . . . . 0.0 109.599 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.82 -40.31 41.54 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.807 0.813 . . . . 0.0 109.577 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.08 -27.93 54.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.885 -0.509 . . . . 0.0 110.867 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.61 -46.22 89.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.739 -1.226 . . . . 0.0 108.59 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.69 -35.41 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.468 -0.77 . . . . 0.0 110.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.56 77.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.088 -1.007 . . . . 0.0 109.591 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.5 -57.72 8.27 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.094 0.949 . . . . 0.0 110.137 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt -53.81 -40.1 42.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.73 -37.65 76.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.912 -1.118 . . . . 0.0 109.915 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.9 -41.43 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.748 -1.22 . . . . 0.0 108.508 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -60.78 -34.61 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.796 -1.19 . . . . 0.0 108.371 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.48 -31.6 57.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.804 . . . . 0.0 109.981 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.26 -43.3 67.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.524 -0.735 . . . . 0.0 109.772 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -71.2 -44.74 64.81 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.05 -1.031 . . . . 0.0 109.133 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -97.3 58.51 1.52 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 110.171 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -15.01 6.41 Favored Glycine 0 N--CA 1.503 3.158 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -63.34 -32.21 73.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -1.068 . . . . 0.0 109.059 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 51.3 mt-10 -147.38 -44.82 0.17 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.739 -1.225 . . . . 0.0 108.994 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 44.87 17.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 77.6 m-20 -48.18 -57.29 6.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -1.106 . . . . 0.0 108.139 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' B' ' 24' ' ' LYS . 9.9 mptt -92.06 176.52 6.47 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 39.4 p-80 -125.39 50.4 1.8 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -131.62 146.2 52.08 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' B' ' 68' ' ' CYS . 16.2 tp -122.84 144.22 49.34 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -94.05 152.17 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.559 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.3 -38.89 74.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.252 179.36 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.42 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 p -60.12 -40.76 90.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.81 . . . . 0.0 110.993 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.92 -33.68 45.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 108.738 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.34 -42.73 99.17 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.58 -58.25 7.85 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.671 -1.268 . . . . 0.0 108.745 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.73 -38.37 54.99 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.998 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.5 -37.84 80.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.091 -1.006 . . . . 0.0 109.674 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.7 -33.93 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.618 -1.301 . . . . 0.0 108.651 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.57 -55.77 18.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.55 -0.719 . . . . 0.0 111.678 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.69 5.99 11.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.985 -1.072 . . . . 0.0 111.692 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -122.46 -26.81 4.53 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.026 -1.046 . . . . 0.0 110.371 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -121.49 24.36 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.136 -0.978 . . . . 0.0 109.896 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.04 -26.18 61.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.202 -0.936 . . . . 0.0 109.81 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -73.13 -50.88 20.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.022 -1.049 . . . . 0.0 109.746 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.73 -17.06 60.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.298 -0.876 . . . . 0.0 109.382 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.56 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.81 -35.11 21.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.749 -179.511 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.37 -37.97 68.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.844 -1.16 . . . . 0.0 110.03 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -85.54 59.21 5.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.85 109.3 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.2 -45.06 9.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -0.982 . . . . 0.0 109.176 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 37.9 mp0 -86.31 103.69 15.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.288 -0.883 . . . . 0.0 109.229 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.72 -24.17 38.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.942 -1.099 . . . . 0.0 109.518 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -74.31 -22.93 59.04 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 110.769 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -72.66 -47.77 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.421 -1.425 . . . . 0.0 107.821 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.4 t -63.3 -32.76 57.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.005 -1.06 . . . . 0.0 108.916 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.6 -45.96 90.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.349 -0.845 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -69.56 -26.71 64.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 109.861 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 91.2 t -66.52 -56.89 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.735 -1.228 . . . . 0.0 108.434 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.45 -26.19 40.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.792 . . . . 0.0 110.315 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.79 -35.13 20.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.896 -1.128 . . . . 0.0 109.281 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.61 -43.76 75.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.647 -1.283 . . . . 0.0 108.277 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.83 -56.93 15.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.723 -1.236 . . . . 0.0 108.242 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.76 -20.79 1.37 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 0.0 109.015 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -102.34 41.62 1.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 122.235 1.016 . . . . 0.0 109.622 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' B' ' 65' ' ' ASP . 32.3 t0 -43.06 -32.59 0.7 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.455 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -10.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 O-C-N 122.038 -0.413 . . . . 0.0 112.639 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 63' ' ' ASP . 1.9 p30 -108.68 -31.79 7.6 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 119.35 1.575 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.67 -25.93 22.79 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.779 -1.825 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.4 mt-10 -147.3 131.25 17.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.109 -1.23 . . . . 0.0 109.45 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 3.6 m -105.04 126.85 52.52 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.249 -0.907 . . . . 0.0 109.172 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.57 -174.39 5.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.53 -32.55 62.51 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 108.819 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.74 -37.78 74.2 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.923 -1.11 . . . . 0.0 109.025 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.58 61.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.023 -1.048 . . . . 0.0 109.53 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.492 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -72.99 -40.63 65.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.018 -1.052 . . . . 0.0 109.047 178.322 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.54 -53.92 16.64 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.22 -1.55 . . . . 0.0 109.477 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.88 -50.22 66.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.159 -1.588 . . . . 0.0 111.187 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.73 -34.32 77.92 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.631 -1.293 . . . . 0.0 109.821 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 73' ' ' PHE . 19.7 t -67.16 -35.95 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 0.0 108.908 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 14.1 p -65.53 -50.38 65.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 109.32 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 76.8 mtp -50.85 -38.45 49.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -0.872 . . . . 0.0 110.545 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.06 -39.2 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.953 -1.092 . . . . 0.0 109.791 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.61 -45.71 74.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.949 -1.094 . . . . 0.0 108.598 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.91 -18.0 61.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.537 -0.727 . . . . 0.0 109.777 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 109.064 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -57.36 -34.93 69.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.8 tt -61.7 -48.46 80.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 109.732 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -49.86 -46.4 51.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.246 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.13 -41.1 35.05 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.879 0.847 . . . . 0.0 109.257 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.733 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.42 -32.39 42.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.831 -0.543 . . . . 0.0 110.84 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -46.65 88.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.736 -1.228 . . . . 0.0 108.294 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.578 -0.701 . . . . 0.0 109.549 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -48.59 79.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.282 -0.886 . . . . 0.0 109.292 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.99 -55.56 16.77 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 122.031 0.919 . . . . 0.0 109.932 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -54.74 -41.31 55.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.662 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.03 -36.71 72.47 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.785 -1.197 . . . . 0.0 110.684 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.06 -42.43 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.397 -1.439 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.63 -31.93 62.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.672 -1.268 . . . . 0.0 107.88 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.75 -32.68 52.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.482 -0.761 . . . . 0.0 109.874 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.71 -45.43 70.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.429 -0.794 . . . . 0.0 110.097 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -72.39 -47.18 51.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.0 -1.062 . . . . 0.0 109.492 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.12 59.78 1.17 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 109.92 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.44 -14.11 4.52 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -65.82 -27.49 68.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.273 -1.134 . . . . 0.0 109.004 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.3 tt0 -146.35 -46.12 0.19 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.576 -1.327 . . . . 0.0 109.215 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 19.3 0.13 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.0 t70 -49.3 -55.04 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.077 -1.249 . . . . 0.0 108.174 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.88 163.02 14.54 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.71 45.15 1.26 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.13 152.05 51.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 109.56 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -123.16 140.97 52.47 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -89.4 153.2 21.03 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.961 -1.087 . . . . 0.0 109.545 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -39.62 92.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.1 -1.0 . . . . 0.0 110.066 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.24 -41.11 87.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.423 -0.798 . . . . 0.0 111.184 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.25 -34.7 36.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.008 -1.057 . . . . 0.0 109.1 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.75 -44.27 97.22 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -53.38 -55.51 24.36 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.738 -1.226 . . . . 0.0 109.099 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -47.14 -34.34 6.03 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.709 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.16 -43.83 77.34 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.82 -1.175 . . . . 0.0 109.477 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.03 -38.05 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.728 -1.232 . . . . 0.0 109.373 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.39 -26.77 68.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.44 -0.787 . . . . 0.0 111.253 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -116.06 4.75 13.74 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.23 -0.919 . . . . 0.0 111.09 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 40' ' ' LEU . 6.7 tp10 -120.32 -28.55 5.01 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.064 -1.023 . . . . 0.0 110.514 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.3 mp -118.03 23.63 11.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.357 -0.839 . . . . 0.0 108.816 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.26 -25.71 63.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.579 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.54 -42.93 61.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.163 -0.961 . . . . 0.0 109.381 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -69.89 -23.44 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.52 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.94 -29.38 3.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 0.0 109.663 -179.285 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.03 -41.13 64.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.871 -1.143 . . . . 0.0 109.954 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.23 59.38 5.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.273 -0.892 . . . . 0.0 110.0 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.53 102.04 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.434 -0.791 . . . . 0.0 109.074 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 29.9 mmtm -87.08 -40.68 14.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 mp0 -85.62 105.81 16.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.295 -0.878 . . . . 0.0 109.199 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 24.9 mp0 -82.96 -28.43 29.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.106 -0.996 . . . . 0.0 109.561 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.49 -22.2 60.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.434 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.09 -50.35 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.697 -1.252 . . . . 0.0 108.238 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.32 -33.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.885 -1.134 . . . . 0.0 109.018 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.16 -42.76 91.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.19 -26.76 64.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.4 -55.56 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 120.681 -1.262 . . . . 0.0 108.329 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.64 -25.33 17.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -85.66 -34.84 21.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.882 -1.136 . . . . 0.0 109.349 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.15 -48.92 66.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 108.137 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.41 -56.72 18.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.633 -1.292 . . . . 0.0 108.257 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.74 -24.7 6.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.234 -0.917 . . . . 0.0 109.199 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.87 39.75 1.35 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 122.26 1.029 . . . . 0.0 109.18 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.9 t70 -45.22 -35.32 3.24 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.59 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.95 -8.84 0.01 OUTLIER Glycine 0 N--CA 1.497 2.718 0 CA-C-O 119.759 -0.467 . . . . 0.0 112.649 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 63' ' ' ASP . 2.7 p30 -106.2 -31.47 8.65 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 119.658 1.729 . . . . 0.0 112.324 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 104.39 -26.57 22.36 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 119.898 -1.751 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 49.1 mt-10 -148.83 130.92 15.38 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.058 -1.26 . . . . 0.0 109.781 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.5 125.96 49.39 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.1 -1.0 . . . . 0.0 109.284 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 29.1 t70 -83.93 -174.63 5.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 109.818 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.1 t80 -76.39 -33.92 58.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 109.232 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.94 -39.25 81.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.914 -1.116 . . . . 0.0 109.063 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.38 -23.21 61.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 23.5 t80 -77.58 -41.38 39.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.736 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.81 -27.2 67.37 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.226 -1.546 . . . . 0.0 108.762 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 -52.47 9.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.31 -1.494 . . . . 0.0 110.246 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 -33.93 71.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.605 -1.309 . . . . 0.0 109.608 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.57 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 45.5 t -63.59 -33.49 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.094 -1.004 . . . . 0.0 108.982 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.3 p -70.48 -52.56 21.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 0.0 110.235 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 83.8 mtp -50.35 -38.49 42.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.236 -0.915 . . . . 0.0 110.918 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.51 -49.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.964 -1.085 . . . . 0.0 109.862 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m -60.16 -41.64 93.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.937 -1.102 . . . . 0.0 108.742 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.4 p -73.03 -21.24 60.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.56 -0.713 . . . . 0.0 109.833 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.048 -1.032 . . . . 0.0 109.065 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -57.32 -34.92 69.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.538 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.8 tt -61.69 -48.5 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.274 -0.892 . . . . 0.0 109.726 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.84 -46.44 51.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 109.194 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.14 -41.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.854 0.835 . . . . 0.0 109.294 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.733 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.48 -32.4 42.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.839 -0.538 . . . . 0.0 110.815 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.654 -1.279 . . . . 0.0 108.306 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.548 -0.72 . . . . 0.0 109.541 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 109.339 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.02 -55.48 17.24 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.025 0.917 . . . . 0.0 109.952 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -54.89 -41.24 56.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.98 -36.86 72.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.849 -1.157 . . . . 0.0 110.697 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.96 -42.45 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.374 -1.454 . . . . 0.0 108.936 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.61 -31.85 62.6 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.715 -1.241 . . . . 0.0 107.953 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.82 -32.66 52.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.541 -0.724 . . . . 0.0 109.896 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 1.4 tm0? -53.69 -45.43 70.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.461 -0.774 . . . . 0.0 110.144 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -72.33 -47.25 51.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.988 -1.07 . . . . 0.0 109.47 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.1 59.83 1.17 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.345 -0.847 . . . . 0.0 109.843 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.45 -14.1 4.52 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -65.77 -27.56 68.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -1.173 . . . . 0.0 109.018 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.3 tt0 -146.27 -46.15 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.604 -1.31 . . . . 0.0 109.213 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.28 19.35 0.13 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 21' ' ' GLU . 14.9 t70 -49.33 -55.06 14.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.991 -1.299 . . . . 0.0 108.13 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.92 163.07 14.51 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.77 45.27 1.25 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.17 152.05 51.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.747 -0.596 . . . . 0.0 109.558 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.0 tp -123.23 140.99 52.45 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -89.41 153.17 21.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.977 -1.077 . . . . 0.0 109.575 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.65 92.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.054 -1.029 . . . . 0.0 110.061 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.23 -41.14 88.01 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.16 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.24 -34.69 36.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.01 -1.056 . . . . 0.0 109.137 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.66 -44.42 96.99 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -53.33 -55.51 24.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.808 -1.183 . . . . 0.0 109.077 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -47.19 -34.3 6.2 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.668 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.13 -43.89 77.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.811 -1.181 . . . . 0.0 109.413 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.04 -38.01 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.69 -1.256 . . . . 0.0 109.392 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.47 -26.65 68.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 111.272 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -116.11 4.79 13.7 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.266 -0.896 . . . . 0.0 111.083 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.442 ' O ' HD12 ' B' ' 40' ' ' LEU . 6.7 tp10 -120.29 -28.58 5.01 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.104 -0.997 . . . . 0.0 110.505 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.442 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.3 mp -118.02 23.61 11.53 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.25 -25.76 63.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.423 -0.798 . . . . 0.0 109.538 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.49 -42.94 61.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.375 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -69.91 -23.37 63.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.06 -29.33 3.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 109.648 -179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.05 -41.17 64.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.971 -1.08 . . . . 0.0 109.916 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.28 59.42 5.54 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.255 -0.903 . . . . 0.0 110.004 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.54 102.03 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NE2' ' B' ' 50' ' ' GLN . 29.9 mmtm -86.98 -40.76 14.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.983 . . . . 0.0 109.37 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 7.9 mp0 -85.6 105.76 16.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.454 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 24.9 mp0 -82.92 -28.38 29.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.049 -1.032 . . . . 0.0 109.526 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -73.67 -22.03 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.375 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -75.18 -50.36 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.651 -1.281 . . . . 0.0 108.186 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.3 -33.9 63.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.942 -1.099 . . . . 0.0 109.035 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.23 -42.69 91.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -70.21 -26.75 64.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.828 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.32 -55.61 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.67 -1.269 . . . . 0.0 108.372 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.67 -25.23 17.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.384 -0.823 . . . . 0.0 110.216 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -85.77 -34.76 21.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.89 -1.131 . . . . 0.0 109.373 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -48.87 66.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.673 -1.267 . . . . 0.0 108.131 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.51 -56.64 19.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.549 -1.344 . . . . 0.0 108.221 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.72 -24.7 6.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.16 -0.962 . . . . 0.0 109.194 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.73 39.66 1.35 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.263 1.03 . . . . 0.0 109.559 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 65' ' ' ASP . 35.2 t70 -45.29 -35.15 3.27 Favored 'General case' 0 C--N 1.275 -2.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.117 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.94 -9.23 0.01 OUTLIER Glycine 0 N--CA 1.494 2.528 0 O-C-N 122.057 -0.402 . . . . 0.0 112.846 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' B' ' 63' ' ' ASP . 2.7 p30 -106.08 -31.38 8.74 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.597 1.698 . . . . 0.0 112.356 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 104.43 -26.69 21.97 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 119.884 -1.76 . . . . 0.0 109.554 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 49.1 mt-10 -148.77 130.88 15.4 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.038 -1.272 . . . . 0.0 109.762 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.49 125.94 49.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.136 -0.977 . . . . 0.0 109.28 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 29.0 t70 -83.91 -174.68 5.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.759 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.479 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 28.9 t80 -76.36 -33.85 58.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.308 -0.87 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -59.03 -39.2 81.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.904 -1.122 . . . . 0.0 109.01 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.37 -23.25 61.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.148 -0.97 . . . . 0.0 109.506 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.562 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 23.6 t80 -77.57 -41.39 39.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.357 -0.839 . . . . 0.0 109.712 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.82 -27.24 67.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.207 -1.558 . . . . 0.0 108.77 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.4 9.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.296 -1.503 . . . . 0.0 110.264 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.3 -33.94 71.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.598 -1.314 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.562 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.5 t -63.64 -33.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.109 -0.994 . . . . 0.0 108.971 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 52.2 p -70.32 -52.61 21.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 110.26 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 83.9 mtp -50.34 -38.51 42.4 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 0.0 110.868 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.52 -50.01 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -60.11 -41.65 93.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.859 -1.151 . . . . 0.0 108.767 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -73.06 -21.18 60.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.735 . . . . 0.0 109.817 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.073 -1.017 . . . . 0.0 109.044 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.32 -35.54 69.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.193 -0.942 . . . . 0.0 109.538 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.45 -54.54 45.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.851 . . . . 0.0 109.663 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -54.97 -47.38 74.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.31 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -48.52 -43.47 35.28 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.762 0.791 . . . . 0.0 109.686 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.15 -28.66 42.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.803 -0.561 . . . . 0.0 110.767 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.491 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -58.94 -41.72 88.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.501 -1.374 . . . . 0.0 108.326 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.3 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.2 69.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.254 -0.904 . . . . 0.0 110.13 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.97 -57.83 9.03 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.033 0.921 . . . . 0.0 109.899 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -57.85 -39.16 69.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.085 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -69.51 -36.4 76.41 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.045 -1.034 . . . . 0.0 110.774 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.39 -34.97 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.396 -1.44 . . . . 0.0 109.459 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -60.25 -33.68 72.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.762 -1.211 . . . . 0.0 108.109 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.78 -30.38 61.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.497 -0.752 . . . . 0.0 109.646 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -54.93 -45.25 74.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -70.41 -43.02 70.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.062 -1.023 . . . . 0.0 109.238 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -96.95 61.06 1.78 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.05 -8.96 11.1 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.48 -31.95 73.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.546 -0.973 . . . . 0.0 109.328 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 23' ' ' ASP . 88.8 mt-10 -148.79 -45.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.604 -1.31 . . . . 0.0 110.172 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.3 12.26 0.3 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.1 t0 -47.93 -59.46 3.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -1.153 . . . . 0.0 108.634 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 21.0 pttm -90.25 177.63 6.37 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -122.84 47.34 1.98 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -134.64 147.61 50.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.749 -0.594 . . . . 0.0 109.995 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 tp -122.22 142.39 50.48 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.82 154.75 19.28 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.889 -1.132 . . . . 0.0 109.605 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.57 -40.14 86.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.069 -1.019 . . . . 0.0 109.961 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.8 p -57.08 -39.79 75.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.296 -0.878 . . . . 0.0 111.11 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.06 -33.84 29.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.757 -1.214 . . . . 0.0 108.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.0 tt -59.91 -46.46 89.3 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.79 -56.62 14.34 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.37 -1.456 . . . . 0.0 108.877 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.69 -35.95 15.05 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.229 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD11 ' OE2' ' A' ' 39' ' ' GLU . 17.0 tp -66.09 -39.88 90.34 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 109.524 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.92 -40.23 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.83 -1.169 . . . . 0.0 109.549 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.75 -25.28 66.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 112.278 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -113.66 -17.91 12.02 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.002 -1.062 . . . . 0.0 111.752 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' OE2' HD11 ' A' ' 35' ' ' LEU . 59.4 mt-10 -97.89 -22.43 16.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.683 -1.261 . . . . 0.0 110.936 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.88 29.14 7.71 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.155 -0.965 . . . . 0.0 109.571 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -26.6 61.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.504 -0.747 . . . . 0.0 110.223 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -73.96 -52.15 13.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.979 -1.075 . . . . 0.0 110.129 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -63.97 -23.17 67.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.945 . . . . 0.0 109.533 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -48.77 -30.98 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.307 -0.871 . . . . 0.0 109.045 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -72.79 -39.21 66.89 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.101 -0.999 . . . . 0.0 109.115 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.42 58.27 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.66 149.19 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.76 -50.71 0.5 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.3 mt-10 -74.14 62.34 0.91 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.0 108.68 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.95 -24.9 0.16 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.404 -0.81 . . . . 0.0 110.338 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' GLU . 22.8 mt-10 -73.76 -22.64 59.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.107 -0.996 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.04 -50.28 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.613 -1.305 . . . . 0.0 107.93 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.56 -33.7 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.932 -1.105 . . . . 0.0 109.084 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -59.98 -44.6 94.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.61 -26.01 64.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.895 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.74 -56.52 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.825 -1.172 . . . . 0.0 108.175 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.32 15.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 110.211 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.62 -34.45 21.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.766 -1.209 . . . . 0.0 109.452 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 p -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.687 -1.258 . . . . 0.0 108.236 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.3 mp -61.43 -56.83 15.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.633 -1.292 . . . . 0.0 108.285 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.17 -24.25 6.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 0.0 109.298 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.4 41.52 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 122.343 1.068 . . . . 0.0 109.014 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.9 t70 -43.99 -34.73 1.8 Allowed 'General case' 0 C--N 1.275 -2.672 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.786 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.88 -12.45 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 O-C-N 121.987 -0.446 . . . . 0.0 112.545 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.2 p30 -104.58 -31.21 9.53 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 119.584 1.692 . . . . 0.0 111.915 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 105.27 -25.57 24.5 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.974 -1.704 . . . . 0.0 109.339 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.41 129.44 15.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.15 -1.206 . . . . 0.0 109.798 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 49.0 m -101.64 125.07 48.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.99 -1.069 . . . . 0.0 109.192 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 30.6 t70 -83.2 -174.66 5.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.233 -0.917 . . . . 0.0 109.875 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.462 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.3 t80 -74.9 -33.73 62.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.323 -0.861 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.31 -37.62 81.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.094 . . . . 0.0 109.103 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.62 -25.93 61.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.075 -1.016 . . . . 0.0 109.878 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.9 t80 -74.86 -41.53 59.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.349 -0.845 . . . . 0.0 109.801 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -64.46 -48.49 75.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.045 -1.659 . . . . 0.0 108.061 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.0 63.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.422 -1.424 . . . . 0.0 110.996 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CD1' HD11 ' A' ' 60' ' ' LEU . 25.8 m-85 -70.17 -32.04 69.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.413 -1.43 . . . . 0.0 109.757 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 54.9 t -65.14 -34.28 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 0.0 109.206 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.2 p -71.31 -53.9 12.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.054 -1.029 . . . . 0.0 109.96 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.416 ' N ' ' OG ' ' A' ' 78' ' ' SER . 9.7 mtt -50.57 -39.4 49.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.228 -0.92 . . . . 0.0 110.675 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.18 -49.49 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.757 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.4 m -62.45 -41.51 98.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.146 -0.971 . . . . 0.0 108.905 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -67.71 -21.07 65.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.149 179.692 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.29 -35.56 69.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.543 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.47 -54.45 46.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 0.0 109.724 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -54.95 -47.47 74.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.192 -0.943 . . . . 0.0 109.261 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -48.46 -43.45 34.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.791 0.805 . . . . 0.0 109.713 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.18 -28.7 42.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.821 -0.549 . . . . 0.0 110.761 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -58.89 -41.77 87.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.547 -1.346 . . . . 0.0 108.304 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.715 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.15 69.77 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.239 -0.913 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.99 -57.78 9.19 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.993 0.901 . . . . 0.0 109.915 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.91 -39.11 69.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.087 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -69.58 -36.38 76.22 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.018 -1.051 . . . . 0.0 110.746 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.38 -35.03 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.41 -1.432 . . . . 0.0 109.448 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -60.16 -33.71 72.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.721 -1.237 . . . . 0.0 108.135 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.73 -30.46 61.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.0 109.694 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -54.86 -45.32 74.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.54 -0.725 . . . . 0.0 109.926 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.41 -42.99 70.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.031 -1.043 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -96.98 61.11 1.77 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.07 -8.96 11.07 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.45 -31.95 73.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.511 -0.993 . . . . 0.0 109.341 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' B' ' 23' ' ' ASP . 88.8 mt-10 -148.82 -45.13 0.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.544 -1.347 . . . . 0.0 110.111 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.27 12.27 0.29 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.1 t0 -47.9 -59.49 3.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -1.182 . . . . 0.0 108.613 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -90.15 177.66 6.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 9.2 p80 -122.84 47.2 2.0 Allowed 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -134.55 147.58 50.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 110.034 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 tp -122.21 142.4 50.47 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.86 154.76 19.26 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.936 -1.103 . . . . 0.0 109.584 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -59.57 -40.13 86.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.094 -1.004 . . . . 0.0 109.938 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.0 p -57.08 -39.85 75.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.895 . . . . 0.0 111.046 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -82.01 -33.84 29.87 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.779 -1.201 . . . . 0.0 108.866 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 32' ' ' LEU . 4.0 tt -59.9 -46.5 89.15 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.76 -56.64 14.2 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.366 -1.459 . . . . 0.0 108.912 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.63 -36.03 14.96 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.207 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.406 HD11 ' OE2' ' B' ' 39' ' ' GLU . 16.9 tp -65.97 -39.96 90.84 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.952 -1.093 . . . . 0.0 109.602 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.81 -40.3 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.795 -1.191 . . . . 0.0 109.569 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.73 -25.32 66.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.505 -0.747 . . . . 0.0 112.278 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.65 -17.91 12.02 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.958 -1.089 . . . . 0.0 111.734 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.406 ' OE2' HD11 ' B' ' 35' ' ' LEU . 59.6 mt-10 -97.83 -22.53 16.32 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.732 -1.23 . . . . 0.0 110.978 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.78 29.14 7.72 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.132 -0.98 . . . . 0.0 109.534 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.94 -26.64 61.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.476 -0.765 . . . . 0.0 110.169 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -74.01 -52.07 13.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.933 -1.104 . . . . 0.0 110.138 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -64.0 -23.26 67.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.513 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.525 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.73 -30.97 6.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.266 -0.896 . . . . 0.0 109.062 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.77 -39.24 66.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.134 -0.979 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.29 58.21 4.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.411 -0.805 . . . . 0.0 109.646 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm -121.7 149.22 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.79 -50.66 0.49 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.347 -0.846 . . . . 0.0 109.022 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 51' ' ' GLU . 17.3 mt-10 -74.13 62.26 0.9 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 108.67 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.98 -24.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.429 -0.794 . . . . 0.0 110.33 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 49' ' ' GLU . 22.8 mt-10 -73.77 -22.63 59.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.117 -0.989 . . . . 0.0 110.078 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.11 -50.25 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.705 -1.247 . . . . 0.0 107.904 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.53 -33.7 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.907 -1.121 . . . . 0.0 109.125 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -60.01 -44.56 94.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.58 -26.03 64.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.77 -56.55 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.847 -1.158 . . . . 0.0 108.106 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.38 16.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.53 -34.48 21.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.802 -1.186 . . . . 0.0 109.505 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -67.76 -46.96 70.57 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.709 -1.244 . . . . 0.0 108.27 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.412 ' N ' HD12 ' B' ' 60' ' ' LEU . 9.3 mp -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.602 -1.311 . . . . 0.0 108.257 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.21 -24.12 6.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -0.979 . . . . 0.0 109.314 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -101.41 41.44 1.2 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 122.403 1.097 . . . . 0.0 109.348 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.57 ' C ' ' H ' ' B' ' 65' ' ' ASP . 25.5 t70 -43.95 -34.67 1.75 Allowed 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.79 -12.66 0.01 OUTLIER Glycine 0 N--CA 1.495 2.569 0 O-C-N 121.976 -0.453 . . . . 0.0 112.659 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.2 p30 -104.46 -31.24 9.57 Favored 'General case' 0 N--CA 1.513 2.688 0 CA-C-N 119.523 1.661 . . . . 0.0 111.936 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.52 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 105.39 -25.61 24.2 Favored Glycine 0 N--CA 1.499 2.89 0 O-C-N 119.878 -1.764 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.38 129.41 15.45 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.055 -1.262 . . . . 0.0 109.767 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 49.6 m -101.65 125.06 48.24 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.97 -1.081 . . . . 0.0 109.185 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 30.7 t70 -83.25 -174.72 5.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.197 -0.939 . . . . 0.0 109.887 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.465 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.5 t80 -74.84 -33.83 62.21 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -0.854 . . . . 0.0 108.847 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.27 -37.67 81.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.932 -1.105 . . . . 0.0 109.07 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.6 -25.82 61.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.971 . . . . 0.0 109.944 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.9 t80 -74.85 -41.54 59.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.857 . . . . 0.0 109.837 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -64.49 -48.5 74.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.105 -1.622 . . . . 0.0 108.036 179.249 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.97 63.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.394 -1.441 . . . . 0.0 111.007 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.408 ' CG ' HD11 ' B' ' 60' ' ' LEU . 25.7 m-85 -70.18 -32.09 69.86 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.347 -1.471 . . . . 0.0 109.72 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 54.8 t -65.14 -34.28 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.193 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.1 p -71.25 -53.96 12.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.088 -1.008 . . . . 0.0 109.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.419 ' N ' ' OG ' ' B' ' 78' ' ' SER . 9.7 mtt -50.48 -39.47 48.34 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.203 -0.936 . . . . 0.0 110.673 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.13 -49.58 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.069 -1.019 . . . . 0.0 109.759 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.7 m -62.39 -41.53 98.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.163 -0.96 . . . . 0.0 108.897 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -67.74 -20.99 65.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 109.403 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.142 -0.974 . . . . 0.0 109.176 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 6.1 mp0 -57.48 -35.46 70.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.112 -0.992 . . . . 0.0 109.423 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.2 tt -60.45 -52.29 65.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.745 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' OE1' ' CG ' ' B' ' 42' ' ' HIS . 28.8 mt-10 -49.89 -45.61 50.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.086 -1.009 . . . . 0.0 109.634 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -48.67 -44.39 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.729 0.776 . . . . 0.0 109.686 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.23 -28.74 47.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.734 -0.604 . . . . 0.0 110.837 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -61.57 -46.72 88.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.598 -1.314 . . . . 0.0 108.534 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.14 -35.06 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 110.217 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.72 76.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.01 -1.056 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.29 16.53 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.949 0.881 . . . . 0.0 109.642 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.5 mt -56.07 -38.72 54.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.663 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -70.13 -36.58 74.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.711 -1.243 . . . . 0.0 110.928 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.0 t -70.11 -35.52 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.297 -1.502 . . . . 0.0 109.208 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.81 -31.67 71.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.6 -1.313 . . . . 0.0 107.708 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -72.83 -36.02 67.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.605 -0.685 . . . . 0.0 109.959 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.404 -0.81 . . . . 0.0 110.34 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.77 -43.61 62.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.881 -1.137 . . . . 0.0 109.253 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.88 60.99 1.52 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.235 -0.916 . . . . 0.0 110.132 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -7.84 11.31 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 107.448 -2.261 . . . . 0.0 107.448 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.44 -33.62 76.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.613 -0.933 . . . . 0.0 109.01 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.3 mt-10 -147.65 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.622 -1.298 . . . . 0.0 110.177 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.88 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 31.0 t70 -49.92 -58.53 5.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -1.233 . . . . 0.0 108.26 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.9 169.6 11.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -118.04 47.82 1.51 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -132.51 146.41 51.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.781 -0.574 . . . . 0.0 110.095 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -123.45 143.07 50.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -91.89 155.01 18.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.873 -1.142 . . . . 0.0 109.824 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -58.64 -39.98 82.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 109.961 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -57.74 -39.86 78.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.407 -0.808 . . . . 0.0 111.344 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -81.19 -39.05 26.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.826 -1.171 . . . . 0.0 109.03 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 32' ' ' LEU . 3.9 tt -56.0 -46.1 78.83 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.61 20.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.406 -1.434 . . . . 0.0 109.098 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.92 -35.2 10.22 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.713 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.09 -41.58 81.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.799 -1.188 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -56.04 -35.47 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.636 -1.29 . . . . 0.0 109.458 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.38 -45.75 82.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.438 -0.789 . . . . 0.0 111.568 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.79 -16.86 22.64 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.943 -1.098 . . . . 0.0 111.357 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 40' ' ' LEU . 65.9 mm-40 -96.86 -28.12 14.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.802 -1.186 . . . . 0.0 110.836 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 39' ' ' GLU . 6.8 mp -118.74 32.88 5.9 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.17 -40.46 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CG ' ' OE1' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -68.91 -50.63 47.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.01 -1.056 . . . . 0.0 109.994 -179.503 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.69 -30.13 63.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.192 -0.943 . . . . 0.0 109.449 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.19 -22.38 0.99 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.435 -0.791 . . . . 0.0 109.839 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.92 -41.38 23.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 110.054 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.59 58.39 3.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 0.0 109.983 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 48' ' ' LYS . 44.8 mm -119.42 157.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.527 -0.733 . . . . 0.0 109.029 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' N ' HG22 ' A' ' 47' ' ' ILE . 4.1 ttmp? -145.56 -51.59 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.138 -0.976 . . . . 0.0 108.986 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.31 65.98 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.22 -0.925 . . . . 0.0 108.684 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.84 -22.8 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.863 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -73.44 -22.13 60.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.865 -1.147 . . . . 0.0 110.197 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.43 -51.11 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.288 . . . . 0.0 107.798 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.49 -32.73 56.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.972 -1.08 . . . . 0.0 108.73 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.86 -47.29 87.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.414 -0.804 . . . . 0.0 109.843 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.81 -27.16 68.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.146 -0.971 . . . . 0.0 109.862 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.07 -55.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.704 -1.248 . . . . 0.0 108.153 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.67 -28.27 32.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 0.0 110.533 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.16 -34.24 20.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.772 -1.205 . . . . 0.0 109.508 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.86 -43.58 75.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.779 -1.201 . . . . 0.0 108.228 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.72 -57.37 12.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.73 -1.231 . . . . 0.0 108.317 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.61 -22.07 1.85 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.0 109.076 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.44 40.32 1.37 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 122.145 0.974 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 19.1 t70 -44.65 -37.68 3.82 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-O 121.6 0.714 . . . . 0.0 109.889 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.05 -7.15 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.536 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 43.6 m-20 -109.11 -8.99 15.07 Favored 'General case' 0 N--CA 1.512 2.656 0 CA-C-N 119.13 1.465 . . . . 0.0 112.476 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 79.33 -29.07 2.25 Favored Glycine 0 N--CA 1.493 2.485 0 O-C-N 119.622 -1.924 . . . . 0.0 110.691 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -145.8 130.01 17.58 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.02 -1.283 . . . . 0.0 110.048 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 74.5 m -103.53 125.0 49.82 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.188 -0.945 . . . . 0.0 108.809 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -81.28 -175.18 5.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 109.971 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.06 -35.07 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -55.01 -35.95 64.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.997 -1.064 . . . . 0.0 108.471 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.53 -24.48 61.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.68 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 77' ' ' VAL . 72.9 t80 -75.26 -41.84 56.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.99 -53.96 26.36 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.245 -1.535 . . . . 0.0 108.404 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.75 -46.94 67.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.368 -1.458 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.45 -33.86 76.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.565 -1.335 . . . . 0.0 109.447 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' PHE . 22.6 t -66.02 -33.24 62.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 t -71.17 -54.39 11.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 0.0 110.148 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 71.0 mtp -50.21 -39.4 44.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 110.876 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.62 -55.84 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.994 -1.066 . . . . 0.0 109.871 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.1 -40.21 73.35 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.921 -1.112 . . . . 0.0 108.594 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 p -73.92 -20.9 60.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 109.562 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.066 -1.021 . . . . 0.0 108.953 179.754 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.596 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 6.1 mp0 -57.43 -35.45 70.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 109.451 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.448 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.2 tt -60.48 -52.24 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 109.759 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.428 ' OE1' ' CG ' ' A' ' 42' ' ' HIS . 28.9 mt-10 -49.94 -45.64 51.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.08 -1.012 . . . . 0.0 109.577 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -48.67 -44.35 37.63 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.736 0.779 . . . . 0.0 109.706 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.26 -28.66 47.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.736 -0.603 . . . . 0.0 110.888 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -61.65 -46.7 88.65 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.551 -1.343 . . . . 0.0 108.479 179.56 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.22 -34.97 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.49 -0.756 . . . . 0.0 110.177 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.78 76.39 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.064 -1.023 . . . . 0.0 109.371 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.25 16.65 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.915 0.864 . . . . 0.0 109.644 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 92.5 mt -56.04 -38.75 54.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.639 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -70.18 -36.59 74.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.756 -1.215 . . . . 0.0 110.87 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.09 -35.5 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.337 -1.477 . . . . 0.0 109.254 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.8 -31.68 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.637 -1.289 . . . . 0.0 107.716 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -72.82 -36.02 67.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.665 -0.647 . . . . 0.0 109.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.9 70.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.397 -0.814 . . . . 0.0 110.322 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.75 -43.56 62.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.004 -1.06 . . . . 0.0 109.307 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.9 60.94 1.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -0.888 . . . . 0.0 110.129 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.9 -7.77 11.35 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 107.468 -2.253 . . . . 0.0 107.468 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.49 -33.54 75.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.568 -0.96 . . . . 0.0 109.0 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -147.71 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.674 -1.266 . . . . 0.0 110.18 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.9 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' B' ' 21' ' ' GLU . 31.0 t70 -49.96 -58.45 5.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.058 -1.26 . . . . 0.0 108.304 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.95 169.58 11.1 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -118.03 47.88 1.5 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -132.55 146.44 51.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.728 -0.607 . . . . 0.0 110.081 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -123.53 143.1 50.4 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -91.88 155.0 18.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.9 -1.125 . . . . 0.0 109.837 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -58.66 -39.94 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.977 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.1 t -57.79 -39.86 78.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.438 -0.789 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -81.14 -39.03 26.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.757 -1.214 . . . . 0.0 109.082 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 32' ' ' LEU . 3.9 tt -55.97 -46.13 78.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.68 19.96 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.484 -1.385 . . . . 0.0 109.093 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.82 -35.24 9.85 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.714 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.05 -41.6 81.78 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.742 -1.224 . . . . 0.0 109.451 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.17 -35.35 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.675 -1.265 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.46 -45.7 82.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 111.572 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.81 -16.86 22.62 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.877 -1.14 . . . . 0.0 111.369 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.537 ' O ' HD12 ' B' ' 40' ' ' LEU . 65.9 mm-40 -96.86 -28.13 14.37 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.801 -1.187 . . . . 0.0 110.844 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD12 ' O ' ' B' ' 39' ' ' GLU . 6.8 mp -118.74 32.87 5.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.353 -0.842 . . . . 0.0 109.034 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.2 -40.53 71.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 0.0 110.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.413 ' CG ' ' OE1' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.89 -50.61 48.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.912 -1.118 . . . . 0.0 109.973 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.72 -30.1 63.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.141 -0.974 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.477 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.22 -22.36 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.384 -0.823 . . . . 0.0 109.794 -179.256 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.97 -41.27 23.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.999 -1.063 . . . . 0.0 110.106 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.63 58.41 3.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 109.974 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.421 HG22 ' N ' ' B' ' 48' ' ' LYS . 44.8 mm -119.42 157.91 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.495 -0.753 . . . . 0.0 108.98 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.421 ' N ' HG22 ' B' ' 47' ' ' ILE . 4.1 ttmp? -145.56 -51.52 0.25 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.2 -0.938 . . . . 0.0 109.022 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.35 66.0 5.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.899 . . . . 0.0 108.666 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.85 -22.84 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.833 . . . . 0.0 110.823 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.41 -22.13 60.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.914 -1.116 . . . . 0.0 110.184 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.44 -51.09 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.636 -1.29 . . . . 0.0 107.845 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.45 -32.8 56.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.005 -1.059 . . . . 0.0 108.753 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.81 -47.28 87.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.86 -27.2 68.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.04 -55.61 21.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.698 -1.251 . . . . 0.0 108.108 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.58 -28.35 31.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.21 -34.12 20.57 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.771 -1.206 . . . . 0.0 109.539 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.88 -43.59 75.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 108.252 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.82 -57.26 13.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.67 -1.268 . . . . 0.0 108.302 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.68 -21.99 1.85 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.116 -0.99 . . . . 0.0 109.061 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.43 40.35 1.37 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 122.206 1.003 . . . . 0.0 109.489 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.594 ' C ' ' H ' ' B' ' 65' ' ' ASP . 18.7 t70 -44.49 -37.82 3.73 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.4 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.98 -7.31 0.01 OUTLIER Glycine 0 N--CA 1.489 2.222 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.648 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.594 ' H ' ' C ' ' B' ' 63' ' ' ASP . 43.9 m-20 -109.11 -8.92 15.08 Favored 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 119.009 1.405 . . . . 0.0 112.497 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 79.41 -29.21 2.27 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 119.551 -1.968 . . . . 0.0 110.699 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -145.72 129.98 17.63 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.04 -1.271 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.488 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 74.7 m -103.54 125.04 49.84 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.178 -0.951 . . . . 0.0 108.786 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -81.33 -175.12 5.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.116 -0.99 . . . . 0.0 109.933 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.12 -35.06 64.09 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -55.02 -35.95 64.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.994 -1.067 . . . . 0.0 108.478 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.51 -24.43 61.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 109.722 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 77' ' ' VAL . 72.8 t80 -75.24 -41.95 56.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 109.287 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.7 tpt -66.78 -54.05 26.65 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.308 -1.495 . . . . 0.0 108.443 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -46.93 67.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.386 -1.446 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.5 -33.79 75.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.591 -1.318 . . . . 0.0 109.466 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 73' ' ' PHE . 22.5 t -66.1 -33.2 61.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.096 -1.002 . . . . 0.0 108.6 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -71.17 -54.42 11.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.923 . . . . 0.0 110.129 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 71.1 mtp -50.24 -39.39 44.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.908 . . . . 0.0 110.839 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.56 -55.84 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.035 -1.041 . . . . 0.0 109.91 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.08 -40.27 73.35 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.862 -1.149 . . . . 0.0 108.632 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.7 p -73.89 -20.88 60.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 109.592 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 108.996 179.72 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.71 -38.51 81.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.007 -1.058 . . . . 0.0 109.314 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -60.73 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.601 ' OE1' ' CE1' ' B' ' 42' ' ' HIS . 75.4 tt0 -51.1 -47.11 61.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.598 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.7 -44.81 58.14 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.849 0.833 . . . . 0.0 109.844 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.752 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.75 -29.94 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.797 -0.564 . . . . 0.0 111.325 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -46.12 86.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.589 -1.319 . . . . 0.0 108.627 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.53 -34.56 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.464 -0.772 . . . . 0.0 110.241 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -50.26 74.64 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.059 -1.026 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.41 -54.99 28.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.96 0.886 . . . . 0.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.69 -39.45 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.898 -0.501 . . . . 0.0 110.753 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.44 -35.49 70.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.84 -1.163 . . . . 0.0 110.686 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.53 -42.7 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.56 -1.338 . . . . 0.0 109.597 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.09 -33.82 63.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.616 -1.303 . . . . 0.0 108.505 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.53 -29.6 59.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.23 -45.12 75.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 110.035 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -71.63 -47.61 53.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.004 -1.06 . . . . 0.0 109.41 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 m -98.42 61.03 1.39 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.365 -0.834 . . . . 0.0 110.135 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.45 -12.92 5.96 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.46 -30.57 70.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -1.161 . . . . 0.0 109.081 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASP . 41.1 tt0 -148.16 -45.23 0.16 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.675 -1.266 . . . . 0.0 109.635 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.95 24.12 0.25 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.321 . . . . 0.0 108.289 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.69 174.39 7.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -120.86 50.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.17 145.04 51.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.802 -0.561 . . . . 0.0 109.65 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' CYS . 15.3 tp -118.8 141.7 48.39 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.53 16.8 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.089 -1.007 . . . . 0.0 109.758 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.26 -39.23 86.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.421 -0.799 . . . . 0.0 110.179 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -59.45 -41.86 90.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.75 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -42.11 33.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 109.099 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 tp -55.61 -42.46 74.9 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.93 -56.96 12.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.895 -1.128 . . . . 0.0 108.792 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -48.3 -35.63 12.65 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.941 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -65.98 -47.95 72.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.0 . . . . 0.0 108.743 179.179 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -52.62 -38.87 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.285 . . . . 0.0 109.481 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -61.87 -26.03 67.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.718 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -121.0 -2.83 9.66 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.411 -0.806 . . . . 0.0 110.493 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' LEU . 21.9 tt0 -98.85 -32.26 11.44 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.96 -1.087 . . . . 0.0 110.82 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.23 34.64 4.81 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.281 -0.887 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -70.57 -24.88 62.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.0 109.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CD2' ' OE1' ' B' ' 4' ' ' GLU . 55.8 m-70 -74.0 -42.9 59.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 110.244 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.65 -22.39 50.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.967 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -48.26 -27.34 2.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.318 -179.415 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.25 -39.12 41.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 110.205 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.0 59.63 5.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.196 -0.94 . . . . 0.0 110.521 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.76 107.42 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.47 -0.769 . . . . 0.0 108.938 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -83.36 -57.16 3.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.053 -1.03 . . . . 0.0 108.787 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -75.5 113.9 13.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.076 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -88.88 -23.68 22.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.056 -1.028 . . . . 0.0 109.776 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.77 -24.84 58.75 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.267 -0.896 . . . . 0.0 111.324 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 53' ' ' VAL . 28.2 m -74.73 -43.4 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.452 -1.405 . . . . 0.0 108.377 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.497 ' N ' HG23 ' A' ' 52' ' ' VAL . 83.2 t -67.97 -34.08 64.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 120.651 -1.28 . . . . 0.0 108.658 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -57.34 -43.0 83.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.16 -27.09 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.154 -0.966 . . . . 0.0 109.884 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.27 -55.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.539 -1.351 . . . . 0.0 107.677 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -53.0 -28.62 24.83 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.65 -38.84 14.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.059 -1.025 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.09 -39.73 78.84 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.6 tp -69.17 -57.08 5.85 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.784 -1.197 . . . . 0.0 108.026 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -50.94 -18.25 0.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.084 -1.01 . . . . 0.0 109.135 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' LEU . 87.6 mt-10 -100.24 40.99 1.2 Allowed 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.308 1.052 . . . . 0.0 109.067 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.2 p-10 -45.01 -34.04 2.3 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.494 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.46 -6.14 0.01 OUTLIER Glycine 0 N--CA 1.499 2.844 0 O-C-N 121.974 -0.454 . . . . 0.0 112.111 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . 54.0 t0 -104.39 -31.45 9.51 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 119.164 1.482 . . . . 0.0 111.926 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.24 -27.81 18.42 Favored Glycine 0 N--CA 1.499 2.85 0 O-C-N 119.873 -1.767 . . . . 0.0 109.049 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.59 130.6 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.213 -1.169 . . . . 0.0 109.769 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 27' ' ' LEU . 11.4 m -104.0 126.76 51.37 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.171 -0.955 . . . . 0.0 109.45 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 23.8 t70 -81.15 -172.3 3.69 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.919 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.46 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 26.4 t80 -74.3 -28.88 61.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.336 -0.853 . . . . 0.0 108.762 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -63.83 -36.11 82.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.862 -1.149 . . . . 0.0 108.477 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -71.98 -24.91 61.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.914 . . . . 0.0 109.689 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -73.21 -41.82 63.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.87 -51.8 55.71 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.292 -1.505 . . . . 0.0 108.416 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.27 46.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.306 -1.496 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -59.92 -36.89 77.98 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.885 -1.134 . . . . 0.0 109.223 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 73' ' ' PHE . 41.5 t -69.85 -34.0 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 0.0 108.975 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.71 42.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.411 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.62 -36.53 35.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.975 -1.078 . . . . 0.0 110.487 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.84 -47.92 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.774 -1.204 . . . . 0.0 109.409 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.23 -36.87 74.82 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 108.841 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -69.25 -26.63 64.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 109.825 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.73 -38.42 81.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.051 -1.03 . . . . 0.0 109.313 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.487 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.1 tt -60.83 -49.01 79.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.853 . . . . 0.0 109.027 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CD2' ' A' ' 42' ' ' HIS . 75.6 tt0 -51.14 -47.16 62.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.24 -0.912 . . . . 0.0 109.617 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.63 -44.8 57.45 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.813 0.816 . . . . 0.0 109.829 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.752 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.83 -29.86 56.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.838 -0.539 . . . . 0.0 111.344 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -46.12 86.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.623 -1.298 . . . . 0.0 108.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.54 -34.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.534 -0.728 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.19 74.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.085 -1.009 . . . . 0.0 109.61 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 22.4 mt -53.52 -54.96 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.902 0.858 . . . . 0.0 110.543 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.7 -39.43 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.884 -0.51 . . . . 0.0 110.803 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.41 -35.54 71.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.867 -1.146 . . . . 0.0 110.75 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 77.8 t -69.47 -42.76 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.524 -1.36 . . . . 0.0 109.59 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.03 -33.87 63.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.613 -1.304 . . . . 0.0 108.531 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.55 -29.6 59.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 109.683 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -55.15 -45.16 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.084 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -71.7 -47.48 53.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 109.38 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -98.54 61.09 1.36 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.374 -0.829 . . . . 0.0 110.051 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.48 -12.88 5.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.55 -30.49 70.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -1.15 . . . . 0.0 109.055 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 23' ' ' ASP . 40.9 tt0 -148.13 -45.34 0.16 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.648 -1.283 . . . . 0.0 109.649 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 43.06 24.09 0.26 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.934 -1.333 . . . . 0.0 108.306 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.67 174.45 7.73 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -120.83 50.57 1.33 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.15 145.04 51.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.802 -0.561 . . . . 0.0 109.599 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 27' ' ' LEU . 15.3 tp -118.78 141.69 48.4 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.54 16.79 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.076 -1.015 . . . . 0.0 109.764 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.24 -39.27 86.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -59.5 -41.84 90.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.0 110.709 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.05 -42.18 33.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.027 -1.046 . . . . 0.0 109.089 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.57 -42.48 74.79 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.96 -56.95 12.14 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.832 -1.167 . . . . 0.0 108.788 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -48.26 -35.62 12.42 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.977 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.6 OUTLIER -66.01 -47.92 72.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.05 -1.031 . . . . 0.0 108.772 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.7 -38.82 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.649 -1.282 . . . . 0.0 109.503 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -61.87 -26.0 67.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.867 . . . . 0.0 110.744 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -120.97 -2.94 9.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.404 -0.81 . . . . 0.0 110.504 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 35' ' ' LEU . 21.8 tt0 -98.74 -32.22 11.49 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.954 -1.091 . . . . 0.0 110.872 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -126.29 34.65 4.8 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.364 -0.835 . . . . 0.0 109.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -70.58 -24.88 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 109.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.601 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 19.0 m80 -74.03 -42.89 59.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.982 . . . . 0.0 110.201 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.63 -22.41 50.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 110.016 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.32 -27.29 2.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.0 109.321 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.24 -39.2 41.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.138 -0.977 . . . . 0.0 110.161 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.98 59.61 5.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.109 -0.994 . . . . 0.0 110.48 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.75 107.46 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.769 . . . . 0.0 108.953 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -83.42 -57.13 3.38 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.078 -1.014 . . . . 0.0 108.745 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -75.52 113.84 13.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.075 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -88.83 -23.69 22.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.012 -1.055 . . . . 0.0 109.786 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.76 -24.82 58.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.263 -0.898 . . . . 0.0 111.329 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.502 HG23 ' N ' ' B' ' 53' ' ' VAL . 28.3 m -74.75 -43.35 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.393 -1.442 . . . . 0.0 108.358 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.502 ' N ' HG23 ' B' ' 52' ' ' VAL . 82.8 t -68.1 -33.93 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.649 -1.282 . . . . 0.0 108.668 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.41 -43.01 83.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.09 -27.12 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.24 -55.49 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.556 -1.34 . . . . 0.0 107.649 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -52.96 -28.58 24.39 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 0.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.67 -38.87 14.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.101 -0.999 . . . . 0.0 109.246 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.01 -39.77 79.1 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.6 tp -69.14 -57.14 5.79 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.815 -1.178 . . . . 0.0 107.959 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.89 -18.22 0.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.092 -1.005 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' B' ' 60' ' ' LEU . 87.7 mt-10 -100.25 41.03 1.19 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.341 1.067 . . . . 0.0 109.457 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 65' ' ' ASP . 18.2 p-10 -44.84 -34.13 2.21 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.084 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.29 -6.18 0.01 OUTLIER Glycine 0 N--CA 1.492 2.416 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.365 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' B' ' 63' ' ' ASP . 54.1 t0 -104.39 -31.41 9.53 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 120.708 -1.466 . . . . 0.0 111.878 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 -27.83 18.31 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 119.97 -1.706 . . . . 0.0 109.022 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.61 130.6 15.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.187 -1.184 . . . . 0.0 109.718 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 11.5 m -104.02 126.88 51.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.154 -0.967 . . . . 0.0 109.41 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 23.8 t70 -81.27 -172.32 3.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.215 -0.928 . . . . 0.0 109.901 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.471 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 26.3 t80 -74.27 -28.87 61.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 108.806 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -63.82 -36.04 82.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.858 -1.151 . . . . 0.0 108.526 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.04 -24.91 61.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.521 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.0 OUTLIER -73.2 -41.89 63.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -0.849 . . . . 0.0 108.713 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.79 -51.84 55.72 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.285 -1.509 . . . . 0.0 108.487 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.29 46.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.249 -1.532 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.89 -36.96 78.04 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.877 -1.14 . . . . 0.0 109.181 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 73' ' ' PHE . 41.5 t -69.76 -34.13 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.895 . . . . 0.0 108.951 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.72 41.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.58 -36.47 34.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 110.488 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 80.5 t -72.87 -47.96 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.719 -1.238 . . . . 0.0 109.367 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.17 -36.95 75.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.186 -0.947 . . . . 0.0 108.817 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -69.22 -26.65 64.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 109.844 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB1' HG21 ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.83 -35.78 57.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.15 -0.968 . . . . 0.0 109.51 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.74 -53.27 49.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.256 -0.902 . . . . 0.0 109.991 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.69 -47.45 73.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.953 -1.092 . . . . 0.0 109.018 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.76 -43.36 58.28 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.711 0.767 . . . . 0.0 109.991 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.665 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.38 -35.87 54.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.75 -0.594 . . . . 0.0 111.614 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.57 -49.28 78.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.068 -1.645 . . . . 0.0 107.797 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -62.15 -35.28 68.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 108.706 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -60.24 -48.55 81.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.003 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.5 mp -44.85 -38.38 4.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 109.079 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 11' ' ' ILE . 2.0 mp -67.14 -38.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . 16.1 t70 -49.72 -54.86 16.35 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.722 0.772 . . . . 0.0 109.404 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.42 -35.92 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.669 -0.644 . . . . 0.0 110.722 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.1 -35.92 82.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.342 -1.474 . . . . 0.0 108.805 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -79.81 -30.48 40.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.478 -0.764 . . . . 0.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.78 -45.64 74.32 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.413 -0.804 . . . . 0.0 109.855 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.19 54.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.039 -1.038 . . . . 0.0 108.997 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -97.92 60.44 1.49 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.452 -0.78 . . . . 0.0 109.824 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.9 -13.83 5.88 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.93 -30.69 71.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.453 -1.028 . . . . 0.0 108.604 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.4 mt-10 -148.44 -44.8 0.15 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.66 -1.275 . . . . 0.0 109.758 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.27 16.35 0.16 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 23.4 t0 -48.55 -58.74 4.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -1.122 . . . . 0.0 108.234 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -89.98 159.75 16.73 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -111.66 46.43 1.12 Allowed 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -132.69 147.62 52.33 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.34 142.09 50.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.82 17.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.949 -1.094 . . . . 0.0 109.984 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.9 -38.83 79.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.882 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.61 -42.56 99.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -0.863 . . . . 0.0 110.905 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -33.85 63.14 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.914 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.88 -42.15 97.55 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.7 -57.36 11.8 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.521 -1.362 . . . . 0.0 108.771 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.57 -38.47 54.55 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.759 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.91 -38.45 86.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.04 -36.81 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.782 -1.199 . . . . 0.0 109.087 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.9 m-20 -63.79 -32.14 73.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.526 -0.734 . . . . 0.0 111.942 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -106.63 5.29 28.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.089 -1.007 . . . . 0.0 111.662 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.4 -27.25 4.12 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.926 -1.109 . . . . 0.0 111.084 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.2 mt -115.68 30.95 7.02 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.163 -0.961 . . . . 0.0 109.529 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 23.8 m -73.63 -26.76 60.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 42' ' ' HIS . 16.6 t-80 -73.4 -50.8 19.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.898 -1.126 . . . . 0.0 110.041 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -65.48 -26.63 68.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -54.25 -23.19 13.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.309 -0.869 . . . . 0.0 109.393 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.3 -41.35 34.09 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.972 -1.08 . . . . 0.0 109.527 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -87.82 60.78 6.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.94 101.61 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.442 -0.786 . . . . 0.0 109.069 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -84.32 -42.06 16.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.0 108.932 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.22 106.41 18.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 0.0 108.845 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.05 -22.01 29.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.874 -1.141 . . . . 0.0 110.743 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.28 -23.31 60.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.921 -1.112 . . . . 0.0 111.222 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 52' ' ' VAL . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.433 -1.417 . . . . 0.0 108.585 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.99 -34.61 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.582 -1.324 . . . . 0.0 108.696 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.06 -44.53 87.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.369 -0.832 . . . . 0.0 109.685 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.37 -26.31 64.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 109.908 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.73 -57.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.734 -1.229 . . . . 0.0 108.474 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.61 -25.76 11.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.07 -33.69 20.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.988 -1.07 . . . . 0.0 108.948 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -68.12 -47.59 67.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.826 -1.171 . . . . 0.0 108.049 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 76' ' ' PHE . 50.2 mt -59.25 -57.19 14.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 108.372 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -21.66 2.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.061 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -102.94 41.77 1.22 Allowed 'General case' 0 N--CA 1.499 1.982 0 CA-C-O 122.233 1.016 . . . . 0.0 109.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 65' ' ' ASP . 28.2 t0 -43.97 -36.16 2.35 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.672 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.3 -10.77 0.01 OUTLIER Glycine 0 N--CA 1.496 2.698 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.403 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.7 p30 -106.86 -31.51 8.34 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 119.424 1.612 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.66 -25.45 26.65 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 119.916 -1.74 . . . . 0.0 109.496 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -150.14 129.77 13.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.939 -1.33 . . . . 0.0 110.361 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.89 52.49 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.18 -0.95 . . . . 0.0 108.829 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 31.2 t0 -83.31 -173.49 4.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.173 -0.954 . . . . 0.0 110.193 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.459 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 30.7 t80 -74.34 -27.03 60.5 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.3 -42.65 92.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.01 -24.9 65.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.22 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 26.5 t80 -76.37 -39.79 52.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.411 -0.806 . . . . 0.0 108.883 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.68 -28.07 65.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.56 -1.337 . . . . 0.0 108.749 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.15 -46.03 21.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.418 -1.426 . . . . 0.0 109.924 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' CG ' HD21 ' A' ' 60' ' ' LEU . 20.2 m-85 -66.65 -32.59 74.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.58 -1.325 . . . . 0.0 109.068 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.569 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 21.7 t -62.77 -35.14 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.269 -0.894 . . . . 0.0 108.867 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -69.65 -51.95 30.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.516 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 51.7 mtp -49.75 -38.72 34.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.57 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.81 -45.27 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.121 -0.987 . . . . 0.0 109.624 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 m -69.58 -41.6 75.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 108.841 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 p -74.05 -22.73 59.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.931 -1.106 . . . . 0.0 108.828 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.88 -35.78 58.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.095 -1.003 . . . . 0.0 109.51 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -53.31 49.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 110.058 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -54.71 -47.4 73.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.978 -1.076 . . . . 0.0 109.004 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.79 -43.35 58.61 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.717 0.77 . . . . 0.0 109.976 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.665 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.42 -35.75 53.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.762 -0.586 . . . . 0.0 111.672 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.62 -49.29 78.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.043 -1.661 . . . . 0.0 107.76 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.14 -35.26 67.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 108.731 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -60.26 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 108.974 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.5 mp -44.79 -38.37 4.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.232 -0.918 . . . . 0.0 109.116 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.565 ' N ' HD12 ' B' ' 11' ' ' ILE . 2.0 mp -67.14 -38.79 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 9' ' ' ALA . 16.0 t70 -49.72 -54.85 16.41 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.714 0.769 . . . . 0.0 109.422 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.51 -35.87 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.693 -0.629 . . . . 0.0 110.709 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.339 -1.476 . . . . 0.0 108.831 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -79.8 -30.47 40.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.737 . . . . 0.0 109.721 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.74 -45.7 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.2 54.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.006 -1.059 . . . . 0.0 108.979 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.2 p -97.87 60.41 1.5 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.842 . . . . 0.0 109.878 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.95 -13.75 5.88 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.95 -30.77 71.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.444 -1.033 . . . . 0.0 108.589 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -148.37 -44.78 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.658 -1.276 . . . . 0.0 109.73 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.31 16.24 0.16 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 21' ' ' GLU . 23.4 t0 -48.45 -58.74 4.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -1.175 . . . . 0.0 108.264 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -90.01 159.84 16.66 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -111.68 46.4 1.13 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -132.69 147.65 52.33 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.36 142.12 50.29 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.81 17.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.969 -1.082 . . . . 0.0 110.019 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.579 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -58.94 -38.83 79.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.57 -42.58 99.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.422 -0.798 . . . . 0.0 110.921 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.36 -33.82 63.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.909 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.88 -42.14 97.55 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.8 -57.28 12.19 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.522 -1.362 . . . . 0.0 108.758 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.54 -38.55 54.75 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.772 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.89 -38.43 86.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -0.963 . . . . 0.0 109.295 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.98 -36.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.768 -1.207 . . . . 0.0 109.105 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.9 m-20 -63.76 -32.18 73.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.494 -0.754 . . . . 0.0 111.921 -177.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -106.66 5.39 28.85 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.106 -0.996 . . . . 0.0 111.698 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -123.38 -27.31 4.11 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.95 -1.094 . . . . 0.0 111.073 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 mt -115.7 30.93 7.03 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.123 -0.985 . . . . 0.0 109.487 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 23.3 m -73.67 -26.69 60.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.0 110.124 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.41 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 16.6 t-80 -73.44 -50.82 19.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.911 -1.118 . . . . 0.0 109.978 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.44 -26.63 68.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -0.964 . . . . 0.0 109.716 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -23.25 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.404 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.22 -41.4 34.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.011 -1.056 . . . . 0.0 109.523 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -87.75 60.79 6.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.265 -0.897 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm -119.98 101.53 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.486 -0.759 . . . . 0.0 109.088 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -84.25 -42.06 16.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 108.968 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.19 106.41 18.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.205 -0.934 . . . . 0.0 108.819 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.11 -22.0 29.06 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.872 -1.143 . . . . 0.0 110.729 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -73.23 -23.29 60.35 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.899 -1.126 . . . . 0.0 111.217 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.404 -1.435 . . . . 0.0 108.608 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.94 -34.61 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.668 -1.27 . . . . 0.0 108.755 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.08 -44.45 87.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.393 -0.817 . . . . 0.0 109.691 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.41 -26.34 64.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.75 -57.25 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.758 -1.214 . . . . 0.0 108.45 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.47 -25.89 11.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.751 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.07 -33.65 20.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.056 -1.028 . . . . 0.0 108.866 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 m -68.22 -47.48 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.857 -1.152 . . . . 0.0 108.016 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.423 HD21 ' CG ' ' B' ' 76' ' ' PHE . 50.1 mt -59.31 -57.14 14.31 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.645 -1.284 . . . . 0.0 108.385 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.09 -21.6 1.99 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.161 -0.962 . . . . 0.0 109.099 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -102.93 41.86 1.21 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.241 1.02 . . . . 0.0 109.437 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 28.2 t0 -44.02 -36.14 2.38 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.236 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.25 -10.91 0.01 OUTLIER Glycine 0 N--CA 1.494 2.518 0 O-C-N 122.002 -0.436 . . . . 0.0 112.482 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.7 p30 -106.82 -31.47 8.37 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-N 119.374 1.587 . . . . 0.0 112.273 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.73 -25.46 26.56 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 119.92 -1.738 . . . . 0.0 109.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -150.08 129.8 13.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.971 -1.311 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.94 52.54 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.246 -0.909 . . . . 0.0 108.857 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 31.1 t0 -83.33 -173.48 4.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.153 -0.967 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.469 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 30.7 t80 -74.36 -27.01 60.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.37 -42.59 92.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.147 -0.971 . . . . 0.0 108.796 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -24.87 65.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 109.208 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 26.4 t80 -76.4 -39.86 52.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.395 -0.816 . . . . 0.0 108.819 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.61 -28.1 65.65 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.493 -1.379 . . . . 0.0 108.803 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.14 -45.99 21.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.423 -1.423 . . . . 0.0 109.953 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.423 ' CG ' HD21 ' B' ' 60' ' ' LEU . 20.0 m-85 -66.74 -32.53 73.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.541 -1.349 . . . . 0.0 109.04 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.564 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 21.7 t -62.77 -35.17 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 108.857 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.66 -52.01 29.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.149 -0.97 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 51.5 mtp -49.7 -38.7 34.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.293 -0.879 . . . . 0.0 110.568 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.85 -45.24 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.012 -1.055 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.7 m -69.51 -41.64 75.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.955 -1.091 . . . . 0.0 108.873 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 p -74.08 -22.74 59.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.991 -1.068 . . . . 0.0 108.846 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.07 70.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -60.45 -49.15 78.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.438 -0.788 . . . . 0.0 109.548 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.41 -47.54 62.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.973 -1.08 . . . . 0.0 109.289 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.52 -44.98 56.42 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.878 0.847 . . . . 0.0 109.516 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.73 -36.88 59.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.881 -0.512 . . . . 0.0 111.012 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.91 79.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.377 -1.452 . . . . 0.0 107.748 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.04 -36.57 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.192 -0.942 . . . . 0.0 108.615 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.87 -47.37 85.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -45.73 -43.6 13.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.091 -1.006 . . . . 0.0 109.224 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.7 mp -64.64 -39.78 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 29.7 t0 -51.32 -54.07 29.83 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.545 0.688 . . . . 0.0 109.995 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.44 -45.4 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.553 -0.717 . . . . 0.0 110.725 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.32 -33.65 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.616 -1.302 . . . . 0.0 108.949 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.0 -30.88 31.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.512 -0.743 . . . . 0.0 110.078 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -53.63 -44.79 69.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 0.0 109.657 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.66 -46.86 44.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.147 -0.971 . . . . 0.0 108.814 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -99.54 57.51 1.03 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -0.794 . . . . 0.0 109.92 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.33 -13.73 6.21 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 107.794 -2.123 . . . . 0.0 107.794 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -64.02 -29.24 70.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.465 -1.021 . . . . 0.0 108.809 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 38.2 mt-10 -147.48 -46.1 0.17 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.675 -1.266 . . . . 0.0 109.944 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.75 14.84 0.13 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.7 t0 -47.98 -53.49 15.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -1.186 . . . . 0.0 108.654 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -89.59 -179.62 5.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -131.69 43.96 2.98 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.54 150.92 49.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.691 -0.631 . . . . 0.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' CYS . 18.0 tp -121.14 143.35 49.15 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -93.04 154.89 17.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.881 -1.137 . . . . 0.0 109.755 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.53 -40.97 84.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.231 -0.918 . . . . 0.0 109.908 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.2 m -58.62 -40.04 82.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.369 -0.832 . . . . 0.0 111.104 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.62 -35.89 44.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 108.969 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.96 -44.05 94.67 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -53.0 -57.68 9.54 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.56 -1.338 . . . . 0.0 108.523 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -51.48 -38.7 55.15 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.82 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -67.63 -38.23 83.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.206 -0.934 . . . . 0.0 109.602 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.63 -33.52 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.953 -1.092 . . . . 0.0 109.223 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -67.3 -45.73 75.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 112.045 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.53 5.1 47.0 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.862 -1.149 . . . . 0.0 111.686 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.98 -25.42 4.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.941 -1.099 . . . . 0.0 110.475 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.6 29.26 7.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.246 -0.909 . . . . 0.0 109.738 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.1 p -72.18 -53.09 13.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.585 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 41' ' ' SER . 70.4 t60 -54.88 -50.34 68.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -61.35 -29.32 69.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 109.415 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.39 -29.0 3.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.576 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -79.7 -40.39 29.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.26 57.55 4.31 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.13 -0.981 . . . . 0.0 110.656 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.57 126.3 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 4.0 mptp? -93.15 -58.45 2.31 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.444 -0.785 . . . . 0.0 109.304 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.14 108.22 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 0.0 109.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.9 -23.04 31.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.219 -0.925 . . . . 0.0 109.418 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.57 -20.58 61.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 0.0 109.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.15 -47.25 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.89 -32.47 54.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.033 -1.042 . . . . 0.0 109.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.97 90.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.402 -0.811 . . . . 0.0 110.365 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -69.58 -26.18 64.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.211 -0.931 . . . . 0.0 110.11 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -56.55 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.771 -1.206 . . . . 0.0 108.419 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.86 -25.6 12.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.325 -0.859 . . . . 0.0 109.988 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.08 -34.03 19.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.811 -1.18 . . . . 0.0 109.254 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -69.02 -48.32 63.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.865 -1.147 . . . . 0.0 108.076 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 76' ' ' PHE . 11.0 mp -58.44 -56.97 15.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.556 -1.34 . . . . 0.0 107.724 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.36 -23.3 2.27 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.288 -0.882 . . . . 0.0 109.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -102.3 40.21 1.38 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 122.103 0.954 . . . . 0.0 109.401 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.5 t0 -44.49 -35.87 2.69 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 121.617 0.722 . . . . 0.0 109.612 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.53 -8.3 0.01 OUTLIER Glycine 0 N--CA 1.495 2.579 0 C-N-CA 121.224 -0.512 . . . . 0.0 111.947 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.7 t70 -104.81 -31.24 9.4 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 119.348 1.574 . . . . 0.0 111.941 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.35 -26.83 23.14 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 119.887 -1.758 . . . . 0.0 109.387 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -146.9 129.15 15.71 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -1.175 . . . . 0.0 109.574 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' LEU . 4.0 m -102.61 125.76 49.45 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 109.0 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 6.9 p30 -83.62 -173.27 4.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.313 -0.867 . . . . 0.0 110.278 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -75.34 -34.23 61.18 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.78 -38.1 77.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.961 -1.087 . . . . 0.0 108.644 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.1 mm-40 -71.76 -24.47 61.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.455 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 77' ' ' VAL . 56.5 t80 -72.43 -40.36 67.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 5.5 mmt -66.74 -54.24 24.95 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.406 -1.434 . . . . 0.0 108.457 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.55 70.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.384 -1.448 . . . . 0.0 111.209 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 60' ' ' LEU . 15.7 m-85 -69.08 -35.56 76.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.648 -1.282 . . . . 0.0 109.728 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 73' ' ' PHE . 24.2 t -63.75 -32.54 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.82 -52.91 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.896 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.52 -39.93 36.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.48 -47.21 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.007 -1.058 . . . . 0.0 109.316 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -63.44 -41.01 98.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.235 -0.915 . . . . 0.0 108.65 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.4 p -74.34 -20.82 59.96 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.752 . . . . 0.0 109.831 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.968 -1.083 . . . . 0.0 108.43 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.01 70.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 109.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.1 tt -60.48 -49.15 78.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.436 -0.79 . . . . 0.0 109.571 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.37 -47.56 62.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.948 -1.095 . . . . 0.0 109.304 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.55 -44.94 56.69 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 109.491 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.76 -36.88 59.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.863 -0.523 . . . . 0.0 111.02 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.89 79.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.445 -1.409 . . . . 0.0 107.769 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -62.0 -36.58 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.222 -0.924 . . . . 0.0 108.619 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -58.93 -47.27 85.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.303 -0.873 . . . . 0.0 109.399 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.3 mp -45.78 -43.62 13.29 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.102 -0.998 . . . . 0.0 109.227 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.62 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.7 mp -64.59 -39.78 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 9' ' ' ALA . 29.9 t0 -51.39 -54.08 30.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.565 0.697 . . . . 0.0 109.991 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.4 -45.43 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.483 -0.761 . . . . 0.0 110.765 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.28 -33.64 59.11 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.575 -1.328 . . . . 0.0 108.987 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -82.08 -30.74 31.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.104 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.7 -44.76 70.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.191 -0.943 . . . . 0.0 109.684 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.64 -46.93 43.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.1 -1.0 . . . . 0.0 108.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.4 p -99.5 57.48 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.527 -0.733 . . . . 0.0 109.959 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.24 -13.78 6.24 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 107.835 -2.106 . . . . 0.0 107.835 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.94 -29.27 70.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.47 -1.018 . . . . 0.0 108.846 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 38.2 mt-10 -147.5 -45.99 0.17 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.695 -1.253 . . . . 0.0 109.98 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.71 14.85 0.13 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.7 t0 -48.03 -53.45 16.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.166 . . . . 0.0 108.654 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.42 ' HB2' ' HZ3' ' B' ' 24' ' ' LYS . 18.9 mtmm -89.57 -179.62 5.84 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 0.8 OUTLIER -131.77 43.99 2.97 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.6 150.93 49.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.691 -0.63 . . . . 0.0 109.359 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 68' ' ' CYS . 18.0 tp -121.15 143.32 49.17 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -92.99 154.86 17.9 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.873 -1.142 . . . . 0.0 109.775 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.47 -41.02 84.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.201 -0.937 . . . . 0.0 109.948 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.3 m -58.61 -40.04 82.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.821 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.63 -35.93 44.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.927 -1.108 . . . . 0.0 108.952 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.88 -44.07 94.38 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -52.96 -57.72 9.38 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.573 -1.329 . . . . 0.0 108.496 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -51.52 -38.69 55.33 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.384 -0.926 . . . . 0.0 108.812 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.67 -38.23 83.47 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.178 -0.951 . . . . 0.0 109.545 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.62 -33.51 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.871 -1.143 . . . . 0.0 109.266 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.29 -45.76 75.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.257 -0.902 . . . . 0.0 112.019 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.5 5.04 47.2 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.805 -1.184 . . . . 0.0 111.733 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.95 -25.43 4.58 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.996 -1.065 . . . . 0.0 110.494 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.62 29.27 7.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.336 -0.853 . . . . 0.0 109.667 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 4.1 p -72.1 -53.15 13.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.422 ' N ' ' OG ' ' B' ' 41' ' ' SER . 70.3 t60 -54.93 -50.27 69.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.057 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -61.36 -29.38 69.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.364 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -48.39 -28.97 3.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.577 -179.609 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -79.74 -40.4 28.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.053 -1.03 . . . . 0.0 110.381 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.29 57.58 4.33 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.213 -0.929 . . . . 0.0 110.665 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.52 126.34 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 4.0 mptp? -93.13 -58.51 2.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.763 . . . . 0.0 109.307 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.12 108.26 5.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 0.0 109.758 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.01 -22.94 31.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.72 -20.46 61.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.141 -0.974 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.18 -47.32 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.698 -1.251 . . . . 0.0 107.668 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.82 -32.48 54.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.088 -1.007 . . . . 0.0 109.496 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.99 90.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.781 . . . . 0.0 110.392 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -69.6 -26.14 64.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.076 -1.015 . . . . 0.0 110.139 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.22 -56.59 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 120.728 -1.232 . . . . 0.0 108.424 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.91 -25.57 12.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.4 -0.813 . . . . 0.0 109.976 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.02 -34.13 19.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.873 -1.142 . . . . 0.0 109.27 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.96 -48.35 63.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.865 -1.147 . . . . 0.0 108.069 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' B' ' 76' ' ' PHE . 11.0 mp -58.46 -56.92 15.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.576 -1.328 . . . . 0.0 107.742 177.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.37 -23.31 2.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -102.17 40.18 1.38 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.105 0.955 . . . . 0.0 109.717 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' B' ' 65' ' ' ASP . 29.1 t0 -44.33 -35.97 2.59 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.161 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.4 -8.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.279 0 C-N-CA 121.152 -0.546 . . . . 0.0 112.13 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 63' ' ' ASP . 11.8 t70 -104.74 -31.31 9.4 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 119.237 1.518 . . . . 0.0 111.934 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.45 -26.89 22.91 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 119.898 -1.751 . . . . 0.0 109.403 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -146.92 129.13 15.67 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.182 -1.187 . . . . 0.0 109.615 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' B' ' 27' ' ' LEU . 4.0 m -102.64 125.86 49.52 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.01 -1.056 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -83.72 -173.18 4.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.24 -0.912 . . . . 0.0 110.293 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.42 -34.21 60.99 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.75 -38.14 77.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 108.61 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.77 -24.52 61.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.426 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.56 ' O ' HG23 ' B' ' 77' ' ' VAL . 56.3 t80 -72.47 -40.27 67.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.206 -0.934 . . . . 0.0 108.741 177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 5.5 mmt -66.76 -54.2 25.26 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.399 -1.438 . . . . 0.0 108.478 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.49 70.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.362 -1.461 . . . . 0.0 111.227 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.447 ' CD1' HD11 ' B' ' 60' ' ' LEU . 15.5 m-85 -69.14 -35.6 76.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.685 -1.259 . . . . 0.0 109.685 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 73' ' ' PHE . 24.2 t -63.68 -32.5 57.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.94 -52.84 15.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.0 109.834 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.59 -39.91 36.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.216 -0.928 . . . . 0.0 110.446 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.46 -47.17 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m -63.42 -41.08 98.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.237 -0.914 . . . . 0.0 108.599 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -74.34 -20.81 59.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.552 -0.717 . . . . 0.0 109.832 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.105 . . . . 0.0 108.399 179.66 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.36 -34.09 73.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.138 -0.976 . . . . 0.0 109.386 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.7 tt -59.7 -48.0 83.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.283 -0.886 . . . . 0.0 109.421 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.89 -43.97 49.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.076 -1.015 . . . . 0.0 109.339 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.51 -42.29 54.7 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.863 0.84 . . . . 0.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.34 -29.5 57.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.792 -0.567 . . . . 0.0 111.175 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -47.06 76.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.498 -1.376 . . . . 0.0 108.038 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.48 -37.23 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.231 -0.918 . . . . 0.0 109.511 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -47.98 80.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.125 -0.984 . . . . 0.0 108.826 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -47.68 -48.46 29.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 109.093 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.21 -43.55 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.1 -50.82 47.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.581 0.705 . . . . 0.0 110.175 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.54 -46.24 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.312 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.97 -35.25 64.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.26 -1.525 . . . . 0.0 109.033 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -77.62 -31.63 52.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 0.0 110.045 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.36 74.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.911 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -71.31 -45.37 63.2 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.997 -1.064 . . . . 0.0 109.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -99.96 60.91 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.07 -13.87 6.28 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.52 -31.67 72.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -1.026 . . . . 0.0 108.86 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 53.3 mm-40 -145.04 -44.99 0.23 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.682 -1.261 . . . . 0.0 109.741 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.85 15.11 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.1 t70 -47.69 -61.43 1.94 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -1.177 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -89.79 177.97 6.37 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 30.3 p-80 -124.69 46.49 2.31 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.18 148.59 52.03 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.812 -0.555 . . . . 0.0 109.646 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 tp -124.48 140.94 52.48 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -94.31 150.58 20.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.079 -1.013 . . . . 0.0 109.997 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.05 82.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.827 . . . . 0.0 110.573 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.38 -42.29 86.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.14 -33.56 33.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.083 -1.01 . . . . 0.0 108.454 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.11 -46.01 90.94 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.42 14.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 108.806 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.56 -34.94 8.32 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.455 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.36 -41.04 81.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.928 -1.107 . . . . 0.0 109.3 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.49 -44.2 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.749 -1.219 . . . . 0.0 109.802 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.2 m-20 -58.72 -52.18 66.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -0.881 . . . . 0.0 111.125 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -88.0 1.96 52.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.232 -0.918 . . . . 0.0 111.242 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.76 -30.08 9.65 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.972 -1.08 . . . . 0.0 110.819 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.6 mt -122.99 25.44 8.56 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.314 -0.866 . . . . 0.0 109.856 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.57 -58.98 5.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.412 -0.805 . . . . 0.0 109.699 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 42' ' ' HIS . 3.7 m80 -62.49 -43.62 98.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -29.29 67.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.56 -48.27 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 0.0 109.884 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.19 -36.91 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 110.111 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.33 58.05 3.91 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.199 -0.938 . . . . 0.0 110.872 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 48' ' ' LYS . 88.5 mt -126.37 158.57 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.292 -0.88 . . . . 0.0 108.874 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 47' ' ' ILE . 56.4 mttp -145.61 -42.74 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.105 -0.997 . . . . 0.0 108.674 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.92 64.24 8.54 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.79 -30.05 1.53 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.416 -0.802 . . . . 0.0 110.954 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.45 -24.26 61.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.102 -0.999 . . . . 0.0 110.346 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.61 -48.81 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.39 -31.55 53.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 108.643 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.9 -47.95 84.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.462 -0.774 . . . . 0.0 109.97 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -66.51 -27.06 67.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.009 . . . . 0.0 109.572 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.14 -56.1 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.693 -1.255 . . . . 0.0 107.895 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.22 -29.85 34.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.493 -0.754 . . . . 0.0 109.768 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -86.98 -37.53 17.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.908 -1.12 . . . . 0.0 109.215 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.8 m -68.01 -43.89 77.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' C ' ' N ' ' A' ' 62' ' ' GLU . 7.7 tp -64.47 -57.14 10.06 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 108.034 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.15 -19.09 0.68 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.168 -0.958 . . . . 0.0 109.023 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 60' ' ' LEU . 8.8 mm-40 -102.42 42.37 1.15 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.283 1.04 . . . . 0.0 109.002 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' A' ' 65' ' ' ASP . 24.2 p-10 -44.18 -34.79 1.96 Allowed 'General case' 0 C--N 1.274 -2.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.661 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -8.8 0.01 OUTLIER Glycine 0 N--CA 1.498 2.803 0 O-C-N 122.041 -0.412 . . . . 0.0 112.332 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 63' ' ' ASP . 3.7 p30 -104.71 -31.45 9.35 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 119.386 1.593 . . . . 0.0 111.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 103.2 -27.3 20.63 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 119.949 -1.719 . . . . 0.0 109.369 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.49 130.95 16.69 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.179 -1.189 . . . . 0.0 109.543 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 m -107.9 127.81 54.06 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.128 -0.982 . . . . 0.0 109.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 14.6 t70 -83.79 -172.24 4.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.254 -0.903 . . . . 0.0 109.885 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.439 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 24.1 t80 -73.24 -37.41 66.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.372 -0.83 . . . . 0.0 108.838 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.925 -1.109 . . . . 0.0 108.995 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.91 -24.79 60.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.164 -0.96 . . . . 0.0 109.978 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.7 t80 -76.15 -39.91 53.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.201 -0.937 . . . . 0.0 109.378 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.15 -28.86 65.69 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.44 -1.413 . . . . 0.0 109.318 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.15 -56.58 4.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.258 -1.527 . . . . 0.0 110.775 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.75 -32.6 65.75 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.541 -1.349 . . . . 0.0 109.575 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 73' ' ' PHE . 55.0 t -69.94 -32.86 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -69.14 -48.18 63.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.123 -0.985 . . . . 0.0 110.261 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.3 mtt -54.21 -53.03 59.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.842 -1.161 . . . . 0.0 110.082 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.6 -48.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.286 -0.884 . . . . 0.0 109.567 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -68.1 -40.13 82.68 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.076 -1.015 . . . . 0.0 108.576 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.915 . . . . 0.0 108.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.33 -34.09 73.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.39 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.7 tt -59.71 -48.06 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.402 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.9 -43.91 49.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 0.0 109.316 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.58 -42.26 55.46 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.845 0.831 . . . . 0.0 109.761 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.36 -29.49 57.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.783 -0.573 . . . . 0.0 111.2 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -46.98 76.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.512 -1.368 . . . . 0.0 108.13 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.56 -37.17 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.493 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.94 80.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.995 . . . . 0.0 108.847 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -47.74 -48.44 29.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 0.0 109.026 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.33 -43.48 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.08 -50.82 46.81 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.544 0.688 . . . . 0.0 110.167 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.59 -46.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.535 -0.728 . . . . 0.0 111.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -54.95 -35.31 64.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.215 -1.553 . . . . 0.0 108.984 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -77.6 -31.68 53.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.5 -0.75 . . . . 0.0 110.016 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.4 74.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.824 . . . . 0.0 109.937 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -71.21 -45.43 63.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.07 . . . . 0.0 109.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -99.99 60.89 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.359 -0.838 . . . . 0.0 110.167 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.02 -13.88 6.31 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.874 -2.09 . . . . 0.0 107.874 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.55 -31.58 72.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.511 -0.993 . . . . 0.0 108.93 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 53.4 mm-40 -145.04 -45.06 0.23 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.646 -1.284 . . . . 0.0 109.762 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.92 15.03 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 11.1 t70 -47.6 -61.53 1.88 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.24 -1.153 . . . . 0.0 108.599 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -89.73 178.04 6.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 30.4 p-80 -124.73 46.45 2.32 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.1 148.61 51.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.81 -0.556 . . . . 0.0 109.618 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 27' ' ' LEU . 19.3 tp -124.5 140.94 52.47 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -94.29 150.53 20.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.993 -1.067 . . . . 0.0 110.021 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.1 82.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.35 -42.28 86.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.13 -33.56 33.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.022 . . . . 0.0 108.463 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.1 -46.07 90.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.38 14.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.485 -1.384 . . . . 0.0 108.847 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.57 -34.94 8.37 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.448 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.34 -41.09 81.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 109.291 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.55 -44.16 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.799 -1.188 . . . . 0.0 109.749 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m-20 -58.74 -52.24 66.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 111.02 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -87.93 1.96 52.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.238 -0.914 . . . . 0.0 111.282 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.78 -30.07 9.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.963 -1.086 . . . . 0.0 110.837 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 66.5 mt -123.04 25.44 8.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.35 -0.844 . . . . 0.0 109.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -55.58 -59.04 5.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.838 . . . . 0.0 109.656 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' B' ' 42' ' ' HIS . 3.7 m80 -62.45 -43.58 98.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.087 -1.008 . . . . 0.0 109.741 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -29.29 67.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.882 . . . . 0.0 109.09 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.52 -48.31 27.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.517 -0.74 . . . . 0.0 109.889 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.11 -36.95 61.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.95 -1.094 . . . . 0.0 110.146 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.34 58.06 3.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.166 -0.959 . . . . 0.0 110.898 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.473 HG22 ' N ' ' B' ' 48' ' ' LYS . 89.0 mt -126.31 158.57 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.31 -0.868 . . . . 0.0 108.92 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' HG22 ' B' ' 47' ' ' ILE . 56.4 mttp -145.64 -42.82 0.22 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.183 -0.948 . . . . 0.0 108.634 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.88 64.2 8.49 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.71 -30.08 1.48 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 111.005 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.43 -24.26 62.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.991 -1.068 . . . . 0.0 110.313 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.68 -48.72 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.44 -31.51 53.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.065 -1.022 . . . . 0.0 108.637 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.97 -47.92 84.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -66.46 -27.09 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.027 . . . . 0.0 109.601 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.14 -56.11 18.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 120.696 -1.253 . . . . 0.0 107.885 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.25 -29.83 34.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.751 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -86.92 -37.58 17.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.927 -1.108 . . . . 0.0 109.228 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 13.8 m -68.01 -43.9 77.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' B' ' 62' ' ' GLU . 7.8 tp -64.5 -57.16 9.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.794 -1.191 . . . . 0.0 107.999 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.06 -19.05 0.65 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.159 -0.963 . . . . 0.0 109.082 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 60' ' ' LEU . 8.8 mm-40 -102.53 42.49 1.14 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 122.327 1.06 . . . . 0.0 109.188 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 65' ' ' ASP . 24.0 p-10 -44.05 -34.94 1.91 Allowed 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.341 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' B' ' 63' ' ' ASP . . . 51.09 -8.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 C-N-CA 121.44 -0.41 . . . . 0.0 112.526 178.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' B' ' 63' ' ' ASP . 3.6 p30 -104.71 -31.49 9.33 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.288 1.544 . . . . 0.0 111.973 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 103.29 -27.35 20.35 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.919 -1.738 . . . . 0.0 109.333 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.46 130.95 16.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.147 -1.208 . . . . 0.0 109.543 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.87 127.76 54.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 109.483 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 14.6 t70 -83.75 -172.28 4.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.206 -0.934 . . . . 0.0 109.914 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.437 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 24.2 t80 -73.25 -37.38 66.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.384 -0.822 . . . . 0.0 108.812 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.897 -1.127 . . . . 0.0 108.965 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -72.91 -24.82 60.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 109.936 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.499 ' O ' HG23 ' B' ' 77' ' ' VAL . 61.4 t80 -76.19 -39.96 53.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.185 -0.947 . . . . 0.0 109.36 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.09 -28.88 65.77 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.431 -1.418 . . . . 0.0 109.324 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.07 -56.67 4.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.213 -1.554 . . . . 0.0 110.816 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.79 -32.5 65.74 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.548 -1.345 . . . . 0.0 109.625 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 73' ' ' PHE . 55.1 t -69.95 -32.84 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.0 109.642 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -69.23 -48.15 62.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.02 . . . . 0.0 110.238 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.2 mtt -54.13 -53.1 57.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.871 -1.143 . . . . 0.0 110.121 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.67 -48.35 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.474 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -68.04 -40.15 82.92 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.066 -1.021 . . . . 0.0 108.599 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -72.17 -19.62 61.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.426 -0.796 . . . . 0.0 109.252 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.97 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.57 -33.2 67.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.172 -0.955 . . . . 0.0 109.811 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.6 tt -63.68 -43.9 95.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.46 -48.16 66.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.825 -1.172 . . . . 0.0 108.987 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.1 -42.5 50.38 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.721 0.772 . . . . 0.0 110.128 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.597 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.87 -29.82 55.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.631 -0.668 . . . . 0.0 111.133 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.56 -48.21 80.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.418 -1.426 . . . . 0.0 107.955 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.88 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.3 -0.875 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.99 -48.07 81.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 108.363 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mt -46.14 -40.92 11.8 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.259 -0.901 . . . . 0.0 108.977 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.47 -40.94 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.2 t70 -49.86 -52.4 32.95 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.689 0.757 . . . . 0.0 109.865 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.8 t -76.72 -34.18 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.572 -0.705 . . . . 0.0 111.297 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.66 -35.52 81.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.324 -1.485 . . . . 0.0 109.323 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.05 -31.28 39.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 0.0 109.874 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -53.8 -45.19 70.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.392 -0.817 . . . . 0.0 109.542 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -72.86 -48.04 40.95 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.151 -0.968 . . . . 0.0 109.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -98.12 60.45 1.44 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.314 -0.866 . . . . 0.0 109.805 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.27 -11.94 7.15 Favored Glycine 0 N--CA 1.503 3.142 0 N-CA-C 108.119 -1.993 . . . . 0.0 108.119 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -63.7 -30.49 71.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.495 -1.003 . . . . 0.0 109.092 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 39.1 mt-10 -147.91 -44.93 0.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.665 -1.272 . . . . 0.0 110.012 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.48 14.12 0.18 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 46.1 t0 -47.56 -58.97 3.6 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -1.147 . . . . 0.0 108.459 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.97 176.42 7.66 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.12 46.08 2.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -132.57 149.57 52.29 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.264 0.554 . . . . 0.0 109.994 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' CYS . 19.1 tp -126.25 144.54 50.75 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -94.29 157.45 16.04 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.026 -1.046 . . . . 0.0 110.241 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -60.6 -40.09 90.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.336 -0.852 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -58.56 -40.84 84.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.855 . . . . 0.0 111.035 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.72 -41.26 38.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.99 -1.069 . . . . 0.0 108.868 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.3 tt -55.16 -44.33 75.08 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' NZ ' ' CE ' ' A' ' 57' ' ' MET . 59.2 tttp -51.07 -55.96 14.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.404 -1.435 . . . . 0.0 108.972 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.33 -35.4 12.32 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.564 -0.855 . . . . 0.0 109.924 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.74 -43.83 79.01 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.659 -1.276 . . . . 0.0 109.36 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 mt -54.67 -35.76 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.706 -1.246 . . . . 0.0 109.793 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.06 -35.75 80.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.888 . . . . 0.0 111.755 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.62 -19.88 14.64 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.969 -1.082 . . . . 0.0 111.487 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 40' ' ' LEU . 3.4 mp0 -101.03 -26.38 13.73 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.847 -1.158 . . . . 0.0 110.255 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.4 mp -116.11 26.14 10.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.331 -0.855 . . . . 0.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.7 p -67.38 -51.63 49.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.864 . . . . 0.0 109.785 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.403 ' N ' ' OG ' ' A' ' 41' ' ' SER . 76.5 t60 -53.84 -40.54 66.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.126 -0.984 . . . . 0.0 110.019 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.96 -29.71 64.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.002 -1.062 . . . . 0.0 109.635 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -51.34 -25.88 6.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.186 -179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.6 37.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.005 -1.059 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.08 60.36 6.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.026 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -120.39 110.84 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.442 -0.786 . . . . 0.0 109.339 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 12.2 mptt -93.35 -49.65 5.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.197 -0.94 . . . . 0.0 109.147 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' GLU . 20.5 mt-10 -82.58 67.99 8.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.515 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -45.89 -21.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' GLU . 33.7 mt-10 -75.38 -23.35 57.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.247 -0.908 . . . . 0.0 110.073 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.25 -49.35 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.664 -1.272 . . . . 0.0 107.864 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.75 -33.75 63.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.971 -1.081 . . . . 0.0 108.693 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -58.66 -45.88 88.39 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.501 -0.75 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.75 -26.53 65.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.872 . . . . 0.0 109.783 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.02 -56.74 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.776 -1.203 . . . . 0.0 108.297 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.509 ' CE ' ' NZ ' ' A' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.39 39.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.489 -0.757 . . . . 0.0 110.127 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -85.6 -35.32 21.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.986 -1.072 . . . . 0.0 109.224 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.8 m -68.91 -43.88 74.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.678 -1.264 . . . . 0.0 108.123 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.489 HD21 ' CG ' ' A' ' 76' ' ' PHE . 91.2 mt -59.14 -56.91 16.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.613 -1.305 . . . . 0.0 108.028 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.8 -21.16 1.03 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.042 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -102.97 40.63 1.35 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.099 0.952 . . . . 0.0 109.388 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 65' ' ' ASP . 11.8 p-10 -44.54 -35.33 2.48 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-O 121.659 0.742 . . . . 0.0 109.724 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.12 -6.25 0.01 OUTLIER Glycine 0 N--CA 1.495 2.592 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.813 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' A' ' 63' ' ' ASP . 31.4 t70 -106.24 -31.32 8.7 Favored 'General case' 0 N--CA 1.514 2.746 0 CA-C-N 119.188 1.494 . . . . 0.0 112.196 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.2 -26.59 23.75 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 119.816 -1.803 . . . . 0.0 109.308 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.87 130.38 14.85 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.148 -1.207 . . . . 0.0 109.559 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' LEU . 2.7 m -104.09 127.01 51.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.068 -1.02 . . . . 0.0 109.493 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.49 -172.06 3.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 110.282 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -74.94 -25.81 59.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.532 -0.73 . . . . 0.0 109.19 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.42 -36.99 85.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.836 -1.165 . . . . 0.0 108.737 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -70.62 -22.77 62.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.134 -0.979 . . . . 0.0 109.655 179.515 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 77' ' ' VAL . 71.3 t80 -74.73 -41.16 60.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.06 -1.025 . . . . 0.0 109.629 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.4 -52.82 28.73 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.294 -1.504 . . . . 0.0 109.039 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.43 73.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.289 -1.507 . . . . 0.0 111.765 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CG ' HD21 ' A' ' 60' ' ' LEU . 17.2 m-85 -66.03 -34.05 77.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.448 -1.407 . . . . 0.0 109.886 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.7 t -68.29 -33.35 60.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 26.1 p -69.32 -53.39 19.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -0.941 . . . . 0.0 109.523 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.42 -38.39 28.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.034 -1.041 . . . . 0.0 110.129 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.29 -58.3 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.904 -1.122 . . . . 0.0 109.419 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -57.64 -38.97 75.95 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 78' ' ' SER . 6.5 m -74.4 -20.03 60.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.619 -0.676 . . . . 0.0 109.559 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.055 -1.028 . . . . 0.0 108.76 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.61 -33.16 67.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.17 -0.956 . . . . 0.0 109.745 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.474 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.7 tt -63.75 -43.84 95.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 109.421 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.44 -48.25 65.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 108.911 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.03 -42.55 49.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.72 0.771 . . . . 0.0 110.142 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.597 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.87 -29.81 55.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.617 -0.677 . . . . 0.0 111.125 -178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.61 -48.18 80.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.43 -1.419 . . . . 0.0 107.934 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.84 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.289 -0.882 . . . . 0.0 109.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.0 -48.08 81.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.005 -1.059 . . . . 0.0 108.403 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.2 mt -46.03 -41.01 11.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 109.044 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.46 -40.93 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 9' ' ' ALA . 10.1 t70 -49.77 -52.44 31.84 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.663 0.744 . . . . 0.0 109.904 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.7 -34.17 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.658 -0.651 . . . . 0.0 111.323 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.68 -35.56 81.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.254 -1.529 . . . . 0.0 109.302 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.03 -31.26 39.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.903 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -53.86 -45.09 70.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.575 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -72.91 -48.01 40.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.154 -0.966 . . . . 0.0 109.029 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 75.7 m -98.19 60.47 1.42 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.365 -0.834 . . . . 0.0 109.827 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 -11.99 7.11 Favored Glycine 0 N--CA 1.502 3.075 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -63.64 -30.45 71.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -1.005 . . . . 0.0 109.096 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 39.2 mt-10 -147.93 -45.02 0.16 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.543 -1.348 . . . . 0.0 110.077 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.51 14.14 0.19 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 46.2 t0 -47.58 -59.02 3.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -1.167 . . . . 0.0 108.439 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.98 176.5 7.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -125.18 46.15 2.42 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -132.61 149.53 52.29 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.263 0.554 . . . . 0.0 110.014 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' B' ' 68' ' ' CYS . 19.2 tp -126.22 144.57 50.72 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -94.3 157.35 16.08 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.99 -1.069 . . . . 0.0 110.252 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -60.54 -40.08 90.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.4 p -58.57 -40.81 84.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 110.998 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.79 -41.2 38.2 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.852 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.552 HD23 ' O ' ' B' ' 32' ' ' LEU . 2.3 tt -55.17 -44.33 75.11 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' NZ ' ' CE ' ' B' ' 57' ' ' MET . 59.2 tttp -51.11 -55.86 15.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.432 -1.418 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.39 -35.41 12.58 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.897 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.72 -43.85 79.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.631 -1.293 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.66 -35.77 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 120.706 -1.246 . . . . 0.0 109.79 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.09 -35.75 80.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.892 . . . . 0.0 111.764 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -102.55 -19.9 14.68 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.005 -1.06 . . . . 0.0 111.496 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.499 ' O ' HD12 ' B' ' 40' ' ' LEU . 3.5 mp0 -100.99 -26.43 13.73 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.804 -1.185 . . . . 0.0 110.319 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.4 mp -116.08 26.17 10.15 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.276 -0.89 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -67.36 -51.61 50.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.848 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.9 -40.48 66.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.012 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -72.06 -29.69 64.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.037 -1.04 . . . . 0.0 109.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -51.32 -25.85 6.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.61 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.067 -1.021 . . . . 0.0 109.981 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -86.1 60.39 6.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.207 -0.933 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.3 mm -120.39 110.83 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.458 -0.776 . . . . 0.0 109.334 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 12.2 mptt -93.38 -49.63 5.84 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.118 -0.989 . . . . 0.0 109.129 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 51' ' ' GLU . 20.5 mt-10 -82.56 67.94 8.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.555 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -45.94 -21.66 0.15 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.235 -0.916 . . . . 0.0 109.824 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 49' ' ' GLU . 33.9 mt-10 -75.42 -23.27 56.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.25 -49.46 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.684 -1.26 . . . . 0.0 107.809 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.74 -33.75 63.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.042 -1.036 . . . . 0.0 108.642 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.66 -45.86 88.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.552 -0.717 . . . . 0.0 109.742 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.79 -26.5 65.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 109.784 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.01 -56.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.767 -1.208 . . . . 0.0 108.25 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.519 ' CE ' ' NZ ' ' B' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.43 39.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.43 -0.794 . . . . 0.0 110.054 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -85.67 -35.23 21.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.016 -1.053 . . . . 0.0 109.223 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -68.98 -43.82 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.671 -1.268 . . . . 0.0 108.144 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.484 HD21 ' CG ' ' B' ' 76' ' ' PHE . 91.3 mt -59.21 -56.82 17.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.669 -1.269 . . . . 0.0 107.979 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.86 -21.1 1.04 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 109.055 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -102.87 40.61 1.35 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.138 0.971 . . . . 0.0 109.783 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' B' ' 65' ' ' ASP . 11.7 p-10 -44.46 -35.37 2.43 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 121.595 0.712 . . . . 0.0 109.257 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.05 -6.5 0.01 OUTLIER Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.0 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' B' ' 63' ' ' ASP . 31.4 t70 -106.13 -31.26 8.78 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.097 1.448 . . . . 0.0 112.264 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.23 -26.63 23.57 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 119.736 -1.852 . . . . 0.0 109.312 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.81 130.44 14.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.173 -1.192 . . . . 0.0 109.489 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' B' ' 27' ' ' LEU . 2.7 m -104.12 127.07 51.68 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.54 -172.1 3.95 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.138 -0.976 . . . . 0.0 110.273 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.87 -25.83 59.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.467 -0.771 . . . . 0.0 109.222 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.44 -36.96 85.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.81 -1.181 . . . . 0.0 108.699 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 0.5 OUTLIER -70.6 -22.84 62.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.644 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.535 ' O ' HG23 ' B' ' 77' ' ' VAL . 71.4 t80 -74.62 -41.34 60.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.057 -1.027 . . . . 0.0 109.615 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.29 -52.86 28.94 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.289 -1.507 . . . . 0.0 109.029 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.209 -1.557 . . . . 0.0 111.755 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.484 ' CG ' HD21 ' B' ' 60' ' ' LEU . 17.4 m-85 -65.99 -34.06 77.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.434 -1.417 . . . . 0.0 109.907 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.8 t -68.25 -33.32 59.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 108.775 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' B' ' 82' ' ' THR . 26.2 p -69.38 -53.31 20.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 109.59 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.41 -38.39 28.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.992 -1.067 . . . . 0.0 110.179 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.33 -58.31 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.942 -1.099 . . . . 0.0 109.365 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -57.68 -38.91 75.96 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 78' ' ' SER . 6.5 m -74.38 -20.09 60.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.613 -0.679 . . . . 0.0 109.557 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 120.969 -1.082 . . . . 0.0 108.83 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.83 -37.69 74.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 109.774 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -39.97 92.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.086 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' B' ' 42' ' ' HIS . 73.1 tt0 -56.44 -48.39 77.12 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.284 -0.885 . . . . 0.0 109.218 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 41.3 mmtm -47.97 -42.03 26.63 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.83 0.824 . . . . 0.0 109.364 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.12 -32.07 44.4 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.876 -0.515 . . . . 0.0 111.074 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.38 -40.57 86.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.449 -1.407 . . . . 0.0 108.484 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.98 -35.14 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.92 75.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.845 . . . . 0.0 109.674 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.52 -55.85 16.71 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.992 0.901 . . . . 0.0 109.798 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.17 -37.58 50.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.96 -36.4 75.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.809 -1.182 . . . . 0.0 110.477 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.8 t -71.9 -35.64 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.502 -1.374 . . . . 0.0 109.313 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.5 -34.03 76.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 108.19 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.11 -30.12 60.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.26 -43.8 74.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.428 -0.795 . . . . 0.0 110.078 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.93 -46.84 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.46 60.73 1.36 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.297 -0.877 . . . . 0.0 109.974 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.56 -13.54 6.74 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.9 -29.93 71.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.525 -0.985 . . . . 0.0 108.953 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 80.7 mt-10 -148.54 -45.25 0.15 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.667 -1.271 . . . . 0.0 109.967 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.28 12.62 0.19 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 22.1 m-20 -49.13 -53.91 18.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -1.226 . . . . 0.0 108.226 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.47 178.36 5.97 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 26.5 p80 -128.28 47.16 2.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.35 152.2 51.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 109.865 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' CYS . 11.2 tp -126.63 143.42 51.23 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 155.9 16.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.051 -1.031 . . . . 0.0 110.226 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.74 -37.45 81.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.979 179.125 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 t -60.2 -41.84 93.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 110.758 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -79.4 -33.9 42.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.964 -1.085 . . . . 0.0 108.731 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 32' ' ' LEU . 3.5 tt -62.94 -45.94 90.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.34 -56.76 12.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.69 -1.256 . . . . 0.0 108.76 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.02 -35.32 10.83 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.546 -0.862 . . . . 0.0 108.758 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -67.5 -41.98 83.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.117 -0.99 . . . . 0.0 108.505 179.055 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.7 -35.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.687 -1.258 . . . . 0.0 109.362 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.84 -33.52 76.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 0.0 110.89 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.33 -8.39 13.93 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.346 -0.846 . . . . 0.0 110.627 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.8 tp10 -92.38 -31.68 15.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.86 -1.15 . . . . 0.0 110.468 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -126.96 37.33 4.3 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.405 -0.81 . . . . 0.0 109.571 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.66 -28.23 63.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.365 -0.834 . . . . 0.0 110.217 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.49 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.32 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.055 -1.028 . . . . 0.0 109.936 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.81 -20.81 65.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.199 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.93 -45.73 31.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.0 109.522 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.72 -37.21 83.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.95 . . . . 0.0 110.067 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -88.94 62.37 6.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 110.534 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.57 116.49 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.395 -0.815 . . . . 0.0 109.036 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.29 -57.13 2.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.149 -0.97 . . . . 0.0 109.708 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.77 107.63 13.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -82.29 -21.28 36.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.051 -1.031 . . . . 0.0 110.301 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.99 -23.79 61.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.019 -1.051 . . . . 0.0 110.736 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.43 -48.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.494 -1.379 . . . . 0.0 108.003 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.57 -33.19 60.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 120.931 -1.105 . . . . 0.0 108.774 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.41 -46.72 87.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.922 . . . . 0.0 109.839 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.45 -56.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.601 -1.312 . . . . 0.0 107.657 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.02 -27.47 13.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.294 -0.879 . . . . 0.0 109.359 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.89 -34.52 19.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 108.737 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -67.37 -46.26 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 76' ' ' PHE . 19.9 mt -61.6 -56.72 16.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.638 -1.289 . . . . 0.0 108.371 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.33 -23.63 9.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.577 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.95 40.77 1.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.294 1.045 . . . . 0.0 109.057 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.586 ' C ' ' H ' ' A' ' 65' ' ' ASP . 17.8 p-10 -44.68 -33.84 1.99 Allowed 'General case' 0 C--N 1.274 -2.698 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.64 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.99 -8.6 0.01 OUTLIER Glycine 0 N--CA 1.497 2.735 0 C-N-CA 121.378 -0.439 . . . . 0.0 112.105 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.586 ' H ' ' C ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.37 8.27 Favored 'General case' 0 N--CA 1.512 2.67 0 CA-C-N 119.164 1.482 . . . . 0.0 112.174 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.58 -25.62 25.18 Favored Glycine 0 N--CA 1.502 3.035 0 O-C-N 119.828 -1.795 . . . . 0.0 109.132 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.0 130.71 15.99 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.242 -1.152 . . . . 0.0 109.44 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' LEU . 6.8 m -101.8 125.2 48.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.038 -1.039 . . . . 0.0 109.138 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.17 -175.92 5.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.244 -0.91 . . . . 0.0 109.736 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -75.32 -30.36 60.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 108.863 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -61.99 -37.13 83.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.072 -1.017 . . . . 0.0 108.852 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 33.3 mt-10 -72.68 -24.68 61.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.201 -0.937 . . . . 0.0 109.875 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.7 t80 -74.14 -42.08 60.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.445 -0.784 . . . . 0.0 109.289 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.18 -48.23 79.27 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.289 -1.507 . . . . 0.0 107.769 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.26 -42.79 63.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.319 -1.488 . . . . 0.0 110.719 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 72' ' ' GLU . 43.4 m-85 -69.82 -32.45 70.89 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.389 -1.445 . . . . 0.0 109.52 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.55 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 55.2 t -67.81 -35.4 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.473 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' MET . 14.2 p -70.98 -54.28 11.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.125 -0.984 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.413 ' O ' ' OG1' ' A' ' 82' ' ' THR . 23.8 mtm -53.35 -51.53 62.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.098 -1.002 . . . . 0.0 110.504 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.87 -43.7 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.62 80.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.936 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 79' ' ' MET . 8.6 p -57.06 -51.03 70.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.979 . . . . 0.0 109.583 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 109.503 -179.646 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.499 1.975 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.87 -37.72 74.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.11 -39.92 91.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.26 -0.9 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 42' ' ' HIS . 73.3 tt0 -56.54 -48.31 77.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.364 -0.835 . . . . 0.0 109.256 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -47.98 -42.02 26.72 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.843 0.83 . . . . 0.0 109.371 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.17 -32.04 44.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.855 -0.528 . . . . 0.0 111.077 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.39 -40.56 86.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.407 -1.433 . . . . 0.0 108.475 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.99 -35.12 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.9 . . . . 0.0 109.328 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.0 75.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.298 -0.876 . . . . 0.0 109.689 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.49 -55.92 16.21 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.014 0.911 . . . . 0.0 109.781 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -56.05 -37.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.596 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.98 -36.42 75.17 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.784 -1.197 . . . . 0.0 110.47 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.9 t -71.8 -35.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.467 -1.396 . . . . 0.0 109.308 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -62.48 -34.01 76.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.81 -1.181 . . . . 0.0 108.171 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.16 -30.16 60.65 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.488 -0.758 . . . . 0.0 109.489 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.31 -43.75 75.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.469 -0.769 . . . . 0.0 110.039 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.91 -46.87 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.063 -1.023 . . . . 0.0 109.38 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.42 60.66 1.37 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.28 -0.888 . . . . 0.0 110.0 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.53 -13.5 6.78 Favored Glycine 0 N--CA 1.502 3.066 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.93 -29.88 71.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.518 -0.99 . . . . 0.0 109.005 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 80.7 mt-10 -148.55 -45.24 0.15 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.637 -1.29 . . . . 0.0 109.968 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.24 12.64 0.18 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 22.0 m-20 -49.1 -53.9 18.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -1.233 . . . . 0.0 108.268 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.52 178.36 5.96 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 26.5 p80 -128.27 47.21 2.46 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.34 152.15 51.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.65 -0.656 . . . . 0.0 109.877 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 68' ' ' CYS . 11.2 tp -126.54 143.39 51.22 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -95.67 155.91 16.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.047 -1.033 . . . . 0.0 110.11 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.578 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -60.77 -37.4 81.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 110.004 179.126 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.406 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 40.8 t -60.26 -41.8 94.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -79.42 -33.9 42.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.143 . . . . 0.0 108.703 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 32' ' ' LEU . 3.5 tt -62.99 -45.98 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.16 -56.83 12.04 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.678 -1.264 . . . . 0.0 108.784 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.0 -35.35 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.747 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -67.43 -41.99 83.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 108.56 179.016 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.75 -35.51 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.763 -1.21 . . . . 0.0 109.273 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.76 -33.58 76.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 110.954 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.35 -8.3 13.93 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.326 -0.859 . . . . 0.0 110.612 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.8 tp10 -92.41 -31.65 15.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.854 -1.154 . . . . 0.0 110.464 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 mt -126.93 37.35 4.3 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.432 -0.793 . . . . 0.0 109.562 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.68 -28.19 63.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.4 15.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.066 -1.021 . . . . 0.0 109.892 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.79 -20.81 65.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.187 -0.946 . . . . 0.0 109.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.509 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -47.87 -45.78 30.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.463 -0.773 . . . . 0.0 109.509 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.68 -37.29 83.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.045 -1.034 . . . . 0.0 110.03 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -88.87 62.32 6.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.235 -0.916 . . . . 0.0 110.559 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.53 116.45 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.393 -0.817 . . . . 0.0 109.058 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.26 -57.11 2.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.17 -0.956 . . . . 0.0 109.74 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.83 107.67 13.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -82.31 -21.27 36.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.023 -1.048 . . . . 0.0 110.311 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.99 -23.8 61.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.058 -1.026 . . . . 0.0 110.784 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 77.4 t -75.4 -48.77 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.48 -1.388 . . . . 0.0 107.989 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.63 -33.19 60.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.845 -1.16 . . . . 0.0 108.722 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.43 -46.76 87.83 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.345 -0.847 . . . . 0.0 109.606 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.825 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.42 -56.28 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.612 -1.305 . . . . 0.0 107.689 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.08 -27.5 14.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.271 -0.893 . . . . 0.0 109.354 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.82 -34.58 19.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.002 -1.061 . . . . 0.0 108.776 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -67.42 -46.21 73.84 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.4 HD21 ' CD2' ' B' ' 76' ' ' PHE . 20.0 mt -61.6 -56.67 17.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.666 -1.271 . . . . 0.0 108.423 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.31 -23.66 9.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.261 -0.9 . . . . 0.0 109.563 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.99 40.93 1.19 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.364 1.078 . . . . 0.0 109.408 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' B' ' 65' ' ' ASP . 17.8 p-10 -44.58 -33.98 1.97 Allowed 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.265 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.9 -8.64 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.206 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.41 8.25 Favored 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 119.084 1.442 . . . . 0.0 112.123 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.73 -25.65 24.93 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 119.896 -1.752 . . . . 0.0 109.101 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -147.97 130.68 15.99 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.161 -1.2 . . . . 0.0 109.423 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' B' ' 27' ' ' LEU . 6.8 m -101.75 125.17 48.36 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.01 -1.056 . . . . 0.0 109.185 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -82.12 -175.93 5.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 109.803 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -75.37 -30.25 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 108.876 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.13 -37.03 83.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.098 -1.001 . . . . 0.0 108.846 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.518 ' O ' ' CD2' ' B' ' 76' ' ' PHE . 33.3 mt-10 -72.65 -24.77 61.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.6 t80 -74.13 -42.0 60.68 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.458 -0.776 . . . . 0.0 109.345 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.21 -48.26 79.07 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.301 -1.499 . . . . 0.0 107.75 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.25 -42.75 63.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.329 -1.482 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' B' ' 72' ' ' GLU . 43.5 m-85 -69.79 -32.58 71.14 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.408 -1.432 . . . . 0.0 109.478 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 55.3 t -67.78 -35.4 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.474 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' B' ' 79' ' ' MET . 14.3 p -70.96 -54.28 11.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.122 -0.986 . . . . 0.0 110.075 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.423 ' O ' ' OG1' ' B' ' 82' ' ' THR . 23.9 mtm -53.35 -51.59 61.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.13 -0.981 . . . . 0.0 110.473 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.81 -43.66 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.0 110.09 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.66 80.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.065 -1.022 . . . . 0.0 109.914 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 79' ' ' MET . 8.7 p -57.04 -51.01 70.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 109.52 -179.679 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.413 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 6.5 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.83 -32.36 63.52 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.247 -0.908 . . . . 0.0 109.211 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.9 tt -58.24 -53.12 61.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.199 -0.938 . . . . 0.0 109.537 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.5 mp0 -51.34 -47.19 62.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 109.427 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -51.04 -44.56 61.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.819 0.819 . . . . 0.0 109.464 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.797 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.72 -28.62 58.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.79 -0.569 . . . . 0.0 111.051 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.2 tpt -66.18 -50.86 62.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.385 -1.447 . . . . 0.0 108.612 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.51 -35.92 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.33 -0.856 . . . . 0.0 109.194 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.97 -47.63 82.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -45.9 -43.08 13.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.211 -0.931 . . . . 0.0 109.441 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.8 mp -65.05 -39.9 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.6 t70 -51.12 -53.44 34.29 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.664 0.745 . . . . 0.0 109.957 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.6 t -76.88 -44.74 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.564 -0.71 . . . . 0.0 111.289 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.83 -35.3 70.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.29 -1.507 . . . . 0.0 108.871 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -78.53 -30.5 47.05 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 109.732 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.73 -43.78 69.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.329 -0.857 . . . . 0.0 109.528 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.37 49.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.11 -0.994 . . . . 0.0 109.058 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -96.81 61.06 1.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.277 -0.889 . . . . 0.0 110.273 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.77 -15.03 7.01 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.99 -31.09 70.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.534 -0.98 . . . . 0.0 109.311 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' ASP . 37.1 mt-10 -148.8 -44.41 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.624 -1.298 . . . . 0.0 110.34 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.41 12.34 0.18 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.6 t0 -48.96 -55.53 11.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -1.186 . . . . 0.0 108.342 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -178.16 5.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -130.86 47.3 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -133.66 150.11 51.55 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.0 tp -123.65 141.34 52.11 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.7 148.89 23.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.848 -1.158 . . . . 0.0 109.555 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.3 pttm -56.94 -41.44 78.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 5.0 m -57.87 -40.2 79.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -0.806 . . . . 0.0 111.069 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.19 -33.9 43.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.005 -1.06 . . . . 0.0 109.068 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.12 -44.16 97.26 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.47 -57.21 10.62 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.599 -1.313 . . . . 0.0 108.785 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.27 -35.34 11.91 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.376 -0.929 . . . . 0.0 108.948 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -66.42 -49.56 66.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.028 -1.045 . . . . 0.0 108.737 179.083 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.6 mt -52.45 -38.73 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.698 -1.252 . . . . 0.0 109.694 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.28 -27.89 69.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.164 -0.96 . . . . 0.0 110.655 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.14 2.91 11.45 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.458 -0.776 . . . . 0.0 110.512 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 35' ' ' LEU . 30.4 tt0 -104.95 -31.69 9.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.127 -0.983 . . . . 0.0 110.659 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -125.41 38.85 4.09 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.445 -0.785 . . . . 0.0 109.662 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 p -68.45 -29.17 67.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -75.08 -51.87 12.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.943 -1.098 . . . . 0.0 109.94 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.21 -20.06 65.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.057 -1.027 . . . . 0.0 109.22 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.32 -50.67 38.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.356 -0.84 . . . . 0.0 109.717 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.97 -29.62 60.52 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.304 -0.872 . . . . 0.0 109.816 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -92.14 61.04 3.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.283 -0.885 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.5 mt -124.64 104.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.343 -0.848 . . . . 0.0 108.79 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.4 -46.58 7.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.101 -0.999 . . . . 0.0 109.423 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -83.75 66.54 9.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.0 109.382 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.02 -23.7 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.309 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 10.9 mp0 -74.23 -25.21 59.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.218 -0.926 . . . . 0.0 110.312 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.0 t -73.8 -49.72 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.11 -31.86 54.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 108.65 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -61.95 -49.49 75.93 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.365 -0.834 . . . . 0.0 109.813 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.39 -26.78 68.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -0.93 . . . . 0.0 109.835 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.16 -55.15 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 120.682 -1.261 . . . . 0.0 108.001 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.72 -26.08 43.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.401 -0.812 . . . . 0.0 110.361 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.11 -39.95 14.16 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.006 -1.059 . . . . 0.0 109.786 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.93 -36.28 77.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.704 -1.247 . . . . 0.0 107.841 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.8 tp -69.11 -58.53 3.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.863 -1.148 . . . . 0.0 108.024 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 52.8 t0 -50.15 -20.12 0.93 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.203 -0.936 . . . . 0.0 109.197 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 69.7 mm-40 -100.02 41.74 1.15 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.323 1.059 . . . . 0.0 108.964 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 65' ' ' ASP . 14.9 p-10 -43.51 -34.62 1.41 Allowed 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.624 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.31 -7.08 0.01 OUTLIER Glycine 0 N--CA 1.496 2.676 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' A' ' 63' ' ' ASP . 35.0 t70 -106.12 -31.4 8.72 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 119.133 1.466 . . . . 0.0 111.952 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 -25.09 25.42 Favored Glycine 0 N--CA 1.504 3.169 0 CA-C-N 121.02 1.737 . . . . 0.0 109.152 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -150.93 131.89 14.24 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.237 -1.155 . . . . 0.0 109.684 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.81 124.09 45.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.121 -0.987 . . . . 0.0 108.548 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -83.1 -172.88 4.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.185 -0.947 . . . . 0.0 109.743 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -74.87 -34.1 62.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 108.822 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.38 -38.62 80.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.991 -1.068 . . . . 0.0 108.731 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -72.6 -23.72 60.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 77' ' ' VAL . 40.4 t80 -74.36 -42.2 59.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.433 -0.792 . . . . 0.0 109.236 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.06 -52.0 58.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.189 -1.569 . . . . 0.0 108.409 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.84 -50.37 66.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.298 -1.502 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.51 -36.82 85.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.753 -1.217 . . . . 0.0 109.529 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.5 t -65.01 -32.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.231 -0.918 . . . . 0.0 109.187 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.1 -51.79 28.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.211 -0.931 . . . . 0.0 110.082 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.1 tpp -50.57 -37.5 40.15 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.147 -0.97 . . . . 0.0 110.768 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.61 -48.79 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.809 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.8 m -61.96 -48.37 80.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.59 -22.64 56.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.349 -0.845 . . . . 0.0 109.663 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.973 . . . . 0.0 109.379 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.402 ' OG ' ' OE1' ' B' ' 4' ' ' GLU . 6.5 p . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.82 -32.35 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -0.936 . . . . 0.0 109.165 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.527 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.9 tt -58.23 -53.19 61.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 2.5 mp0 -51.25 -47.26 62.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.08 . . . . 0.0 109.428 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' B' ' 5' ' ' LYS . 31.7 mmtp -51.04 -44.55 61.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.791 0.805 . . . . 0.0 109.462 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.797 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.78 -28.53 58.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.822 -0.549 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -66.21 -50.88 62.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.443 -1.41 . . . . 0.0 108.628 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.42 -35.97 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.365 -0.834 . . . . 0.0 109.269 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -57.99 -47.58 82.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.125 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' B' ' 9' ' ' ALA . 83.1 mt -45.97 -42.99 13.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.485 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.662 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.8 mp -65.1 -39.9 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.06 -53.47 33.46 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.639 0.733 . . . . 0.0 110.011 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.87 -44.78 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.637 -0.664 . . . . 0.0 111.214 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.82 -35.35 70.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.244 -1.535 . . . . 0.0 108.861 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -78.54 -30.41 46.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.373 -0.83 . . . . 0.0 109.779 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.8 -43.73 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.409 -0.807 . . . . 0.0 109.53 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.4 49.63 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.073 -1.017 . . . . 0.0 109.06 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' B' ' 18' ' ' SER . 6.3 t -96.76 60.94 1.83 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.29 -0.881 . . . . 0.0 110.233 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.68 -15.11 7.03 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 107.734 -2.146 . . . . 0.0 107.734 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -60.86 -31.14 70.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.517 -0.99 . . . . 0.0 109.306 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 37.1 mt-10 -148.84 -44.35 0.15 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.639 -1.288 . . . . 0.0 110.413 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.4 12.31 0.18 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 52.6 t0 -49.0 -55.47 11.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.167 -1.196 . . . . 0.0 108.304 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -178.13 5.11 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -130.91 47.2 2.56 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -133.58 150.16 51.63 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 tp -123.62 141.39 52.06 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.77 148.9 22.96 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.843 -1.161 . . . . 0.0 109.551 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.3 pttm -56.95 -41.43 78.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.118 -0.989 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 5.0 m -57.9 -40.17 79.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 111.024 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.22 -33.86 43.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.012 -1.055 . . . . 0.0 109.076 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -62.17 -44.17 97.21 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.48 -57.18 10.71 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.59 -1.318 . . . . 0.0 108.774 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.29 -35.35 12.03 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.958 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -66.36 -49.63 66.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.058 -1.026 . . . . 0.0 108.761 179.028 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -52.39 -38.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.671 -1.268 . . . . 0.0 109.699 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.36 -27.86 69.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.181 -0.949 . . . . 0.0 110.675 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.1 2.81 11.46 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 35' ' ' LEU . 30.4 tt0 -104.89 -31.7 9.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.145 -0.972 . . . . 0.0 110.716 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.42 38.94 4.07 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.6 p -68.51 -29.2 67.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.079 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -75.03 -51.88 12.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.91 -1.118 . . . . 0.0 109.958 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -63.17 -20.07 65.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.084 -1.01 . . . . 0.0 109.234 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.34 -50.61 39.03 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.371 -0.831 . . . . 0.0 109.719 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.01 -29.62 60.64 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.326 -0.859 . . . . 0.0 109.81 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -92.13 61.05 3.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.241 -0.912 . . . . 0.0 110.892 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.8 mt -124.65 104.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.315 -0.865 . . . . 0.0 108.857 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.37 -46.55 7.62 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.103 -0.998 . . . . 0.0 109.422 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.7 66.47 9.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.1 -23.65 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.945 . . . . 0.0 110.25 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 10.9 mp0 -74.24 -25.23 59.52 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.252 -0.905 . . . . 0.0 110.288 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -73.8 -49.74 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.07 -31.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 108.656 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.03 -49.39 76.21 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.488 -0.757 . . . . 0.0 109.815 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.38 -26.81 68.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 109.845 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.17 -55.13 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.651 -1.281 . . . . 0.0 107.968 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.76 -26.08 44.04 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.804 . . . . 0.0 110.328 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.14 -39.91 14.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.015 -1.053 . . . . 0.0 109.821 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -36.28 77.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.768 -1.207 . . . . 0.0 107.898 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -69.1 -58.49 4.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.904 -1.123 . . . . 0.0 108.039 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 52.9 t0 -50.12 -20.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.974 . . . . 0.0 109.163 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -100.07 41.77 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 122.356 1.074 . . . . 0.0 109.226 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.589 ' C ' ' H ' ' B' ' 65' ' ' ASP . 14.9 p-10 -43.41 -34.72 1.35 Allowed 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.207 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -7.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.091 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' B' ' 63' ' ' ASP . 34.9 t70 -106.17 -31.19 8.79 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.79 -1.417 . . . . 0.0 112.03 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.7 -25.22 24.95 Favored Glycine 0 N--CA 1.5 2.956 0 O-C-N 119.902 -1.749 . . . . 0.0 109.135 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -150.86 131.96 14.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -1.172 . . . . 0.0 109.631 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.86 124.05 45.96 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.103 -0.998 . . . . 0.0 108.565 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.05 -172.79 4.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.221 -0.924 . . . . 0.0 109.794 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -75.01 -34.03 61.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 108.774 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.42 -38.63 81.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.974 -1.079 . . . . 0.0 108.675 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.65 -23.64 60.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 109.618 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.562 ' O ' HG23 ' B' ' 77' ' ' VAL . 40.5 t80 -74.35 -42.16 59.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.315 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.08 -51.96 58.39 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.211 -1.555 . . . . 0.0 108.448 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.37 66.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.319 -1.488 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.58 -36.74 84.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.7 -1.25 . . . . 0.0 109.489 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.6 t -65.02 -32.91 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.199 -0.938 . . . . 0.0 109.188 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.11 -51.79 28.77 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.0 tpp -50.5 -37.61 39.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.21 -0.931 . . . . 0.0 110.755 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.56 -48.72 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.876 -1.14 . . . . 0.0 109.858 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -61.95 -48.4 80.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.204 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.58 -22.58 56.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.395 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.47 -33.34 59.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.181 -0.949 . . . . 0.0 109.112 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.5 tt -62.22 -50.6 71.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.767 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.22 -48.7 70.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 109.549 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.47 -41.03 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.748 0.785 . . . . 0.0 109.758 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.14 -29.42 48.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.798 -0.564 . . . . 0.0 111.237 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -48.44 79.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.398 -1.439 . . . . 0.0 107.987 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.03 -36.7 77.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 109.117 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.28 79.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.141 -0.974 . . . . 0.0 108.572 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.51 -41.13 13.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.987 . . . . 0.0 109.328 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.93 -41.79 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.4 m-20 -52.76 -51.09 62.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.6 -0.688 . . . . 0.0 110.368 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.82 -44.98 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.434 -0.791 . . . . 0.0 111.016 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -54.99 -34.24 63.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.384 -1.448 . . . . 0.0 108.731 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.87 -31.17 45.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.558 -0.714 . . . . 0.0 109.977 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -55.55 -45.37 77.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.28 -0.887 . . . . 0.0 110.206 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -71.85 -44.47 63.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.949 -1.095 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -99.68 58.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 110.084 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.42 -9.8 12.5 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -65.73 -37.66 87.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 35.0 mm-40 -143.18 -44.4 0.29 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.84 -1.163 . . . . 0.0 109.628 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.78 12.98 0.15 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 28.8 t70 -48.94 -56.31 9.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.248 . . . . 0.0 108.515 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -90.45 157.65 17.47 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -107.44 45.86 0.97 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.96 51.88 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -125.72 142.38 51.54 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -92.71 156.67 16.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.011 -1.055 . . . . 0.0 109.654 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.64 -40.07 93.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 0.0 110.589 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.27 -41.0 87.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.169 -0.957 . . . . 0.0 111.147 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -77.39 -33.5 55.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.034 . . . . 0.0 109.037 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.11 -43.51 98.25 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.26 -56.82 14.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.497 -1.377 . . . . 0.0 109.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -49.06 -36.82 19.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.168 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 8.9 tp -67.91 -45.25 74.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 109.307 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.14 -34.01 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.88 -1.138 . . . . 0.0 109.618 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -69.67 -30.21 67.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.944 . . . . 0.0 111.874 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -107.56 -0.27 22.18 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.001 -1.062 . . . . 0.0 111.404 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 3.7 mp0 -118.12 -21.99 7.98 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.1 -1.0 . . . . 0.0 110.163 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -120.26 24.49 10.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.339 -0.851 . . . . 0.0 109.412 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.78 -22.83 61.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 109.782 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -70.41 -49.71 46.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 109.725 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.6 -19.05 60.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 109.468 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -49.58 -32.1 11.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.209 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -82.92 -30.67 28.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 110.376 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.16 70.84 7.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.123 -0.986 . . . . 0.0 110.987 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.0 mt -126.82 110.24 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.15 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.82 106.94 18.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.0 pt20 -81.1 -19.07 44.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 111.201 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.72 -23.49 62.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.897 -1.127 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.8 -45.67 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.406 -1.434 . . . . 0.0 108.566 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.26 -34.89 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.69 -1.256 . . . . 0.0 108.964 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 50' ' ' GLN . 61.0 m-20 -57.84 -40.11 79.3 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.279 -0.888 . . . . 0.0 109.951 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -70.84 -27.58 63.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.954 -1.091 . . . . 0.0 109.981 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.56 -55.58 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.616 -1.302 . . . . 0.0 108.0 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.44 -28.91 21.91 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.643 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -88.3 -37.56 15.89 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.0 -1.062 . . . . 0.0 109.236 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -69.17 -39.24 78.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.5 tp -69.73 -57.5 5.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.866 -1.146 . . . . 0.0 108.177 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.88 -18.01 0.24 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.081 -1.012 . . . . 0.0 109.352 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 60' ' ' LEU . 92.4 mt-10 -102.37 42.39 1.15 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.209 1.004 . . . . 0.0 109.364 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.7 t0 -44.09 -38.95 3.91 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.94 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.42 -5.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.599 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.759 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -108.84 -8.76 15.25 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-N 119.181 1.49 . . . . 0.0 112.427 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.35 2.33 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 119.595 -1.941 . . . . 0.0 110.562 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -146.52 130.82 17.54 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.033 -1.275 . . . . 0.0 109.839 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.62 125.45 49.36 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.186 -0.946 . . . . 0.0 108.834 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -84.38 -173.5 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.192 -0.942 . . . . 0.0 110.315 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.72 -28.21 60.7 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.05 -39.13 89.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.898 -1.126 . . . . 0.0 108.671 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.67 -23.14 62.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.0 109.387 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.2 t80 -76.02 -41.7 50.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.5 -0.75 . . . . 0.0 109.346 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.04 -55.8 14.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.083 -1.636 . . . . 0.0 108.496 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.9 -42.83 59.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.344 -1.473 . . . . 0.0 110.728 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.85 -37.89 70.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.742 -1.224 . . . . 0.0 109.994 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 73' ' ' PHE . 25.2 t -60.18 -33.72 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.055 -1.028 . . . . 0.0 108.776 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -70.69 -51.17 29.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 59.6 mtp -49.39 -39.4 32.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.102 -0.998 . . . . 0.0 110.522 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.8 t -73.93 -45.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -71.36 -45.68 62.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 109.385 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -71.26 -21.29 62.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.762 . . . . 0.0 110.368 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.002 -1.061 . . . . 0.0 108.746 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.49 -33.31 59.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.954 . . . . 0.0 109.087 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.464 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.5 tt -62.19 -50.6 71.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.442 -0.786 . . . . 0.0 109.772 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -54.31 -48.6 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 109.503 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.52 -41.05 28.96 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.752 0.787 . . . . 0.0 109.778 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.06 -29.49 49.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.764 -0.585 . . . . 0.0 111.287 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -48.44 79.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.376 -1.453 . . . . 0.0 108.026 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.421 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.8 t -67.05 -36.64 77.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.181 -0.949 . . . . 0.0 109.161 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.186 -0.946 . . . . 0.0 108.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.59 -41.07 13.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 109.333 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.02 -41.74 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 12' ' ' ASP . 2.4 m-20 -52.69 -51.15 61.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.585 -0.697 . . . . 0.0 110.359 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.79 -44.98 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.36 -0.837 . . . . 0.0 110.992 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.99 -34.3 63.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.354 -1.466 . . . . 0.0 108.714 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.79 -31.24 45.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -55.52 -45.31 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 110.224 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -71.86 -44.58 63.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.939 -1.101 . . . . 0.0 109.253 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -99.6 58.73 1.07 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.36 -0.838 . . . . 0.0 110.111 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.38 -9.84 12.5 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 107.574 -2.21 . . . . 0.0 107.574 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -65.71 -37.68 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.71 -0.877 . . . . 0.0 109.188 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 23' ' ' ASP . 35.1 mm-40 -143.11 -44.42 0.29 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.764 -1.21 . . . . 0.0 109.653 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.75 12.97 0.15 Allowed Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' B' ' 21' ' ' GLU . 28.8 t70 -48.95 -56.3 9.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.104 -1.233 . . . . 0.0 108.502 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.4 157.6 17.52 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.4 45.82 0.97 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.97 51.88 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -125.69 142.34 51.56 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -92.69 156.7 16.89 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.031 -1.043 . . . . 0.0 109.648 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.66 -40.08 93.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.166 -0.959 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.32 -40.94 87.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.257 -0.902 . . . . 0.0 111.136 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -77.3 -33.56 55.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.038 . . . . 0.0 109.069 -179.116 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.14 -43.48 98.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.23 -56.85 14.3 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.471 -1.393 . . . . 0.0 109.029 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -49.13 -36.8 20.05 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.14 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 8.9 tp -67.91 -45.21 75.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.073 -1.017 . . . . 0.0 109.298 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.16 -34.04 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.87 -1.144 . . . . 0.0 109.614 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -69.66 -30.21 67.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.166 -0.959 . . . . 0.0 111.874 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -107.52 -0.33 22.2 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.046 -1.034 . . . . 0.0 111.412 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 3.7 mp0 -118.13 -22.01 7.97 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.027 -1.046 . . . . 0.0 110.15 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.23 24.45 10.41 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.326 -0.859 . . . . 0.0 109.466 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -22.99 61.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.754 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -70.34 -49.59 47.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 109.773 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.7 -19.06 60.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.414 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 tp -49.55 -32.14 11.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 0.0 110.242 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -82.85 -30.75 28.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.12 -0.987 . . . . 0.0 110.362 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.14 70.8 7.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.055 -1.028 . . . . 0.0 111.035 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.9 mt -126.78 110.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.377 -0.827 . . . . 0.0 109.347 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.14 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.053 . . . . 0.0 108.227 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.79 106.87 17.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.405 ' O ' ' OD2' ' B' ' 54' ' ' ASP . 10.0 pt20 -81.1 -18.98 44.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.986 -1.071 . . . . 0.0 111.236 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.76 -23.43 62.42 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.849 -1.157 . . . . 0.0 111.336 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.84 -45.62 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.401 -1.437 . . . . 0.0 108.596 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.31 -34.82 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.674 -1.266 . . . . 0.0 108.983 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' B' ' 50' ' ' GLN . 60.9 m-20 -57.86 -40.13 79.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -70.82 -27.6 63.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.938 -1.101 . . . . 0.0 109.938 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.57 -55.63 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.355 . . . . 0.0 107.989 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.35 -28.96 21.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.359 -0.838 . . . . 0.0 109.67 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -88.33 -37.6 15.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.979 -1.076 . . . . 0.0 109.183 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -69.17 -39.23 78.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.4 tp -69.74 -57.49 5.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.947 -1.095 . . . . 0.0 108.178 177.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.83 -18.02 0.24 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.083 -1.01 . . . . 0.0 109.332 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' B' ' 60' ' ' LEU . 92.4 mt-10 -102.42 42.54 1.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.26 1.029 . . . . 0.0 109.629 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' B' ' 65' ' ' ASP . 31.1 t0 -44.01 -39.1 3.89 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.518 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.28 -5.83 0.01 OUTLIER Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.949 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.9 OUTLIER -108.84 -8.64 15.27 Favored 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.078 1.439 . . . . 0.0 112.47 -179.448 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.38 2.33 Favored Glycine 0 N--CA 1.492 2.368 0 O-C-N 119.561 -1.962 . . . . 0.0 110.499 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -146.52 130.79 17.51 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.989 -1.3 . . . . 0.0 109.789 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.69 125.48 49.44 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.19 -0.943 . . . . 0.0 108.838 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.38 -173.51 4.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -0.931 . . . . 0.0 110.258 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.76 -28.23 60.67 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -66.03 -39.13 89.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.849 -1.157 . . . . 0.0 108.694 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -23.16 62.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.546 ' O ' HG23 ' B' ' 77' ' ' VAL . 32.0 t80 -76.07 -41.64 49.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.775 . . . . 0.0 109.327 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mmt -65.98 -55.89 14.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.072 -1.642 . . . . 0.0 108.539 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.75 59.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.313 -1.492 . . . . 0.0 110.752 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.86 -37.87 70.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.779 -1.2 . . . . 0.0 110.009 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 73' ' ' PHE . 25.2 t -60.22 -33.67 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.086 -1.009 . . . . 0.0 108.812 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -70.71 -51.21 28.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 0.0 110.091 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 59.6 mtp -49.33 -39.4 31.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 110.55 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.9 t -73.97 -45.12 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.076 -1.015 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -71.37 -45.79 62.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.347 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 p -71.14 -21.31 62.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.49 -0.757 . . . . 0.0 110.396 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 120.951 -1.093 . . . . 0.0 108.765 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.45 -34.76 71.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -0.934 . . . . 0.0 109.617 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 3' ' ' LEU . 2.6 tt -61.68 -52.78 62.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 109.811 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.83 -47.59 64.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.098 . . . . 0.0 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.64 -41.96 32.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.664 0.745 . . . . 0.0 109.897 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.808 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.98 -29.46 43.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.702 -0.624 . . . . 0.0 111.097 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.14 -48.59 79.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.353 -1.467 . . . . 0.0 108.214 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.07 -36.26 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.527 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.26 76.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 108.702 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.74 -45.11 19.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.243 -0.911 . . . . 0.0 108.984 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.64 -42.53 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.36 -51.91 31.65 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.588 0.709 . . . . 0.0 109.994 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.61 -45.26 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.577 -0.702 . . . . 0.0 111.253 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.15 -32.61 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.306 -1.496 . . . . 0.0 108.799 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 16.1 t-80 -79.8 -31.34 40.71 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.566 -0.709 . . . . 0.0 109.92 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 19.6 tm0? -54.7 -45.0 73.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.842 . . . . 0.0 109.86 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 15.1 m-85 -71.93 -48.21 47.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.002 -1.061 . . . . 0.0 108.922 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.6 p -98.61 59.98 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.415 -0.803 . . . . 0.0 109.948 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.14 -13.27 7.13 Favored Glycine 0 N--CA 1.501 2.973 0 N-CA-C 107.692 -2.163 . . . . 0.0 107.692 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.32 -30.18 71.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.488 -1.007 . . . . 0.0 109.035 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' ASP . 43.4 mt-10 -147.48 -45.18 0.17 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.693 -1.255 . . . . 0.0 110.037 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.28 13.34 0.12 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.5 t70 -49.08 -57.22 6.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -1.231 . . . . 0.0 108.607 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -89.95 161.17 16.03 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.19 45.86 1.23 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -133.04 149.04 52.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.771 -0.581 . . . . 0.0 109.615 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.2 142.74 50.98 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -92.68 156.66 16.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 109.63 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -61.08 -39.98 91.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 110.435 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -57.8 -40.41 79.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.292 -0.88 . . . . 0.0 111.019 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.94 -33.47 39.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.956 -1.09 . . . . 0.0 108.658 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 32' ' ' LEU . 3.6 tt -60.94 -45.0 96.44 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -52.11 -56.72 12.67 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.265 -1.522 . . . . 0.0 109.034 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.04 -35.67 11.56 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.785 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.54 -39.57 88.63 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.702 -1.249 . . . . 0.0 109.292 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -61.16 -35.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.716 -1.24 . . . . 0.0 109.611 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -66.28 -32.78 74.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 111.68 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -108.88 -18.26 13.73 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.101 -1.0 . . . . 0.0 111.334 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 40' ' ' LEU . 80.1 mm-40 -96.36 -28.12 14.62 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.829 -1.169 . . . . 0.0 110.752 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.4 mp -115.3 29.74 7.82 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.407 -0.808 . . . . 0.0 108.979 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.73 -25.15 61.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 110.205 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.69 -41.11 65.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.114 . . . . 0.0 109.568 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -72.76 -18.52 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.0 109.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.6 tp -46.35 -34.91 4.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.306 -0.871 . . . . 0.0 110.191 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.76 -29.95 29.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.146 -0.971 . . . . 0.0 110.455 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.18 60.37 3.71 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -0.945 . . . . 0.0 111.136 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.56 116.64 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 121.243 -0.911 . . . . 0.0 109.075 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.78 -46.92 5.49 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.224 -0.922 . . . . 0.0 109.322 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.14 64.86 7.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 0.0 109.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.28 -24.76 0.31 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.258 -0.901 . . . . 0.0 110.236 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.17 -22.78 57.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.107 -0.995 . . . . 0.0 110.431 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.53 -48.79 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.66 -1.275 . . . . 0.0 108.093 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.16 -32.09 56.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.85 -1.156 . . . . 0.0 108.723 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.03 -45.01 94.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -0.846 . . . . 0.0 110.065 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.27 -26.41 66.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 0.0 109.964 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.33 -56.42 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 108.6 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.41 24.78 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.319 -0.863 . . . . 0.0 109.919 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.97 -34.68 20.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.921 -1.112 . . . . 0.0 109.568 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.17 -41.88 76.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.675 -1.265 . . . . 0.0 108.201 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.03 -56.95 12.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.681 -1.262 . . . . 0.0 108.362 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -50.49 -21.67 1.6 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.097 -1.002 . . . . 0.0 108.99 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -104.07 41.4 1.3 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.155 0.979 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.9 t0 -44.03 -38.7 3.69 Favored 'General case' 0 C--N 1.274 -2.691 0 CA-C-O 121.596 0.712 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.91 -8.88 0.01 OUTLIER Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.39 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.8 m-20 -107.57 -8.67 16.11 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 118.974 1.387 . . . . 0.0 112.272 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.82 -30.07 2.33 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 119.717 -1.864 . . . . 0.0 110.611 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -147.32 131.6 17.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.952 -1.323 . . . . 0.0 109.88 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.3 m -104.01 126.51 51.18 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.207 -0.933 . . . . 0.0 108.866 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 21.4 t70 -82.49 -173.95 4.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.22 -0.925 . . . . 0.0 110.6 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.468 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.1 t80 -74.66 -27.75 60.56 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.2 -34.63 78.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 109.11 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.93 -23.2 60.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.03 -1.043 . . . . 0.0 110.086 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 77' ' ' VAL . 72.6 t80 -73.34 -39.83 64.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.966 -1.084 . . . . 0.0 109.709 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.7 mmm -69.33 -53.79 17.83 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.127 -1.608 . . . . 0.0 109.519 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -52.59 62.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.229 -1.544 . . . . 0.0 111.168 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.75 -34.27 76.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.672 -1.267 . . . . 0.0 109.363 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 73' ' ' PHE . 14.3 t -66.33 -33.07 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.892 . . . . 0.0 109.093 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.84 -50.56 41.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.063 -1.023 . . . . 0.0 110.033 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.2 mtp -50.68 -38.26 45.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.134 -0.979 . . . . 0.0 110.703 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.7 -47.61 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.979 -1.076 . . . . 0.0 109.876 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 p -67.81 -39.66 83.92 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.143 -0.973 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -71.09 -22.4 62.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.62 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.138 -0.976 . . . . 0.0 108.833 179.567 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.51 -34.68 71.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.421 HD23 ' O ' ' B' ' 3' ' ' LEU . 2.6 tt -61.62 -52.82 62.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.817 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.92 -47.49 64.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 0.0 109.43 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.62 -42.02 32.88 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.714 0.769 . . . . 0.0 109.915 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.808 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.89 -29.48 44.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.645 -0.659 . . . . 0.0 111.079 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.18 -48.53 79.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.378 -1.451 . . . . 0.0 108.233 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.25 76.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.012 -1.055 . . . . 0.0 108.709 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.71 -45.21 19.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 108.931 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.56 -42.59 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.29 -51.91 30.88 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.565 0.697 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.64 -45.26 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.643 -0.661 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.13 -32.62 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.334 -1.479 . . . . 0.0 108.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' B' ' 15' ' ' HIS . 16.1 t-80 -79.86 -31.33 40.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.579 -0.7 . . . . 0.0 109.933 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 19.6 tm0? -54.66 -44.98 73.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.273 -0.892 . . . . 0.0 109.86 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 15.1 m-85 -71.96 -48.21 46.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.04 . . . . 0.0 108.915 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 70.5 p -98.55 59.95 1.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.12 -13.42 7.07 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.28 -30.12 71.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.501 -1.0 . . . . 0.0 109.075 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 43.5 mt-10 -147.5 -45.26 0.17 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.593 -1.317 . . . . 0.0 110.032 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.25 13.37 0.12 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 12.5 t70 -49.13 -57.18 7.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.249 . . . . 0.0 108.576 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -89.97 161.17 16.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.14 45.83 1.23 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -133.02 149.08 52.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.803 -0.561 . . . . 0.0 109.62 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 68' ' ' CYS . 10.8 tp -124.23 142.72 51.01 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -92.68 156.57 16.98 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.008 -1.057 . . . . 0.0 109.673 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -61.05 -39.96 91.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 110.436 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -57.83 -40.41 79.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.889 . . . . 0.0 111.017 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -79.95 -33.39 39.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.704 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 32' ' ' LEU . 3.6 tt -60.98 -45.0 96.54 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HZ3' ' HA ' ' B' ' 61' ' ' ASP . 56.9 mttp -52.17 -56.71 12.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.349 -1.47 . . . . 0.0 109.035 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.1 -35.66 11.78 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.746 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.5 -39.57 88.76 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.754 -1.216 . . . . 0.0 109.323 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.22 -35.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.769 -1.207 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.33 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 0.0 111.634 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -108.91 -18.29 13.72 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.053 -1.029 . . . . 0.0 111.328 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.476 ' O ' HD12 ' B' ' 40' ' ' LEU . 80.1 mm-40 -96.33 -28.11 14.65 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.816 -1.178 . . . . 0.0 110.729 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.4 mp -115.32 29.79 7.78 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.8 -25.07 61.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.237 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.72 -41.1 65.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.963 -1.086 . . . . 0.0 109.597 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -72.76 -18.51 61.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.947 . . . . 0.0 109.444 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -46.39 -34.8 4.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.294 -0.879 . . . . 0.0 110.27 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.81 -30.02 29.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.379 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.06 60.28 3.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.18 -0.95 . . . . 0.0 111.187 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.49 116.61 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 109.116 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.85 -46.84 5.5 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.135 -0.978 . . . . 0.0 109.306 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.13 64.8 6.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.88 . . . . 0.0 109.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.25 -24.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.355 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.27 -22.74 57.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -0.999 . . . . 0.0 110.383 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.52 -48.75 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.69 -1.256 . . . . 0.0 108.125 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 78.8 t -64.27 -32.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.879 -1.138 . . . . 0.0 108.759 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.21 -26.46 66.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.002 -1.061 . . . . 0.0 109.947 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -56.33 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.677 -1.265 . . . . 0.0 108.612 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -28.47 25.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 0.0 109.853 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.92 -34.8 20.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.08 -41.85 76.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.667 -1.271 . . . . 0.0 108.278 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.07 -56.93 12.72 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.689 -1.257 . . . . 0.0 108.341 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.401 ' HA ' ' HZ3' ' B' ' 33' ' ' LYS . 38.2 t70 -50.44 -21.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.158 -0.964 . . . . 0.0 108.992 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -104.03 41.47 1.29 Allowed 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.172 0.987 . . . . 0.0 109.596 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.591 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.0 t0 -43.9 -38.93 3.65 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.856 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.83 -8.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.591 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.8 m-20 -107.55 -8.74 16.1 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.85 -1.383 . . . . 0.0 112.35 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 -30.04 2.34 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 119.607 -1.933 . . . . 0.0 110.612 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -147.34 131.69 17.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.903 -1.351 . . . . 0.0 109.815 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' B' ' 27' ' ' LEU . 23.1 m -104.03 126.43 51.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 21.3 t70 -82.43 -173.97 4.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.146 -0.971 . . . . 0.0 110.623 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.473 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.2 t80 -74.62 -27.81 60.61 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.17 -34.55 78.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.049 . . . . 0.0 109.175 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -73.0 -23.13 60.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.997 -1.064 . . . . 0.0 110.042 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.6 ' O ' HG23 ' B' ' 77' ' ' VAL . 72.6 t80 -73.41 -39.81 64.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.937 -1.102 . . . . 0.0 109.657 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 72.8 mmm -69.41 -53.74 17.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.12 -1.613 . . . . 0.0 109.476 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.54 62.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.248 -1.533 . . . . 0.0 111.12 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -62.76 -34.28 76.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.696 -1.253 . . . . 0.0 109.356 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 73' ' ' PHE . 14.4 t -66.34 -33.1 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.283 -0.886 . . . . 0.0 109.07 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.83 -50.58 41.43 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.151 -0.968 . . . . 0.0 110.031 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 73.3 mtp -50.66 -38.22 45.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.127 -0.983 . . . . 0.0 110.706 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.79 -47.57 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.891 -1.131 . . . . 0.0 109.851 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -67.82 -39.77 83.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.181 -0.95 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.9 p -71.05 -22.38 62.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 108.8 179.598 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.88 -37.45 84.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.042 -1.036 . . . . 0.0 109.437 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -64.62 -49.94 69.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.915 . . . . 0.0 108.994 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' CG ' ' B' ' 42' ' ' HIS . 73.6 tt0 -51.0 -46.64 61.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 108.963 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.06 -41.27 47.55 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.709 0.766 . . . . 0.0 109.912 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.55 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.8 -29.41 55.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.787 -0.571 . . . . 0.0 111.182 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.34 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.448 -1.408 . . . . 0.0 107.894 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -67.76 -36.81 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.26 -0.9 . . . . 0.0 109.214 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.51 -48.38 81.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.172 -0.955 . . . . 0.0 108.633 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 16.5 mt -45.08 -42.48 8.69 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.346 -0.847 . . . . 0.0 108.836 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.24 -39.6 85.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ALA . 25.1 t70 -50.95 -53.61 31.49 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.635 0.731 . . . . 0.0 109.788 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.61 -46.77 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.621 -0.675 . . . . 0.0 110.991 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -53.33 -34.62 58.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.385 -1.447 . . . . 0.0 109.377 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.92 -29.65 32.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 110.327 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.23 -44.7 68.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.208 -0.933 . . . . 0.0 109.345 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -74.06 -41.95 60.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -97.25 60.8 1.68 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.265 -0.897 . . . . 0.0 110.203 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.15 -9.3 8.86 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.48 -32.36 73.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.463 -1.022 . . . . 0.0 109.315 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.8 mp0 -147.63 -43.69 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.57 -1.331 . . . . 0.0 109.853 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.59 13.12 0.24 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLU . 48.6 t0 -49.17 -61.48 2.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.203 -1.174 . . . . 0.0 108.451 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.41 12.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 45.5 p-80 -116.56 48.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -130.63 148.9 52.48 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.56 142.83 51.05 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.8 153.43 18.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.921 -1.112 . . . . 0.0 109.823 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.38 -39.33 75.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.188 -0.945 . . . . 0.0 110.207 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.26 -40.34 89.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 110.919 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.72 -34.04 64.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.329 -0.949 . . . . 0.0 109.276 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.84 -43.22 89.16 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -51.01 -57.71 7.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.533 -1.355 . . . . 0.0 108.739 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -50.03 -36.23 28.0 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.389 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.68 -46.54 72.05 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.786 -1.196 . . . . 0.0 109.454 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.9 mt -53.71 -36.42 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.669 -1.269 . . . . 0.0 109.55 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -63.48 -42.18 98.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.377 -0.827 . . . . 0.0 111.323 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 22.5 t-20 -98.4 -18.72 18.13 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.033 -1.042 . . . . 0.0 111.309 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -93.33 -29.41 15.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.766 -1.209 . . . . 0.0 110.723 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.78 30.14 7.43 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -68.67 -28.56 66.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 50.3 t-80 -74.17 -50.81 17.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.918 -1.114 . . . . 0.0 109.656 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -61.18 -28.7 69.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -46.72 -30.86 2.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.423 -0.798 . . . . 0.0 109.438 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.4 -37.16 52.55 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.01 -1.056 . . . . 0.0 109.398 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.25 59.67 4.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.284 -0.885 . . . . 0.0 110.01 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.94 110.61 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.94 -55.99 3.41 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.995 -1.066 . . . . 0.0 109.138 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 47.9 mp0 -75.45 106.37 6.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.488 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -82.36 -24.28 34.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.057 -1.027 . . . . 0.0 109.439 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.51 -22.22 59.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.302 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.17 -51.51 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.751 -1.218 . . . . 0.0 108.565 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -33.23 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 109.08 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.88 -42.92 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.283 -0.885 . . . . 0.0 109.964 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.22 -26.59 63.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.108 -0.995 . . . . 0.0 110.112 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.78 -56.59 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.793 -1.192 . . . . 0.0 108.239 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 20.1 mtt -55.15 -26.18 36.95 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.4 -0.813 . . . . 0.0 109.916 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.96 -35.17 20.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.095 -1.003 . . . . 0.0 109.053 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -69.83 -43.53 71.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.691 -1.256 . . . . 0.0 107.842 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' GLU . 72.0 mt -61.79 -57.77 10.58 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.705 -1.247 . . . . 0.0 107.994 177.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -49.38 -20.23 0.65 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.154 -0.967 . . . . 0.0 108.93 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' LEU . 94.5 mt-10 -103.52 42.64 1.15 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.236 1.017 . . . . 0.0 109.02 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.5 t0 -43.31 -35.93 1.67 Allowed 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.601 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.36 -10.8 0.01 OUTLIER Glycine 0 N--CA 1.495 2.607 0 O-C-N 122.009 -0.432 . . . . 0.0 112.429 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -106.52 -31.33 8.57 Favored 'General case' 0 N--CA 1.515 2.789 0 CA-C-N 119.444 1.622 . . . . 0.0 112.116 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.61 -26.9 21.94 Favored Glycine 0 N--CA 1.501 2.98 0 O-C-N 119.924 -1.735 . . . . 0.0 109.053 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.5 129.42 13.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.084 -1.245 . . . . 0.0 109.913 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.85 127.82 49.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.265 -0.897 . . . . 0.0 109.432 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.74 5.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.432 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.5 t80 -75.5 -31.07 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.838 . . . . 0.0 109.156 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.72 -36.85 74.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.055 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.4 -21.97 61.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 109.603 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 77' ' ' VAL . 46.1 t80 -75.58 -40.94 55.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.294 -0.879 . . . . 0.0 109.622 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.15 -47.5 67.88 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.197 -1.564 . . . . 0.0 109.119 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.26 17.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.222 -1.549 . . . . 0.0 111.576 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -58.1 -37.78 75.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.574 -1.329 . . . . 0.0 109.891 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.2 t -63.3 -31.47 52.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 108.742 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.94 -50.45 41.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.0 109.747 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.9 mmm -49.84 -39.03 37.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.72 -50.54 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.006 -1.059 . . . . 0.0 109.394 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.3 m -57.94 -41.82 83.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.112 -0.992 . . . . 0.0 108.706 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -73.95 -20.96 60.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.906 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.476 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.81 -37.55 84.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.48 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.1 tt -64.51 -49.98 69.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.024 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' CG ' ' A' ' 42' ' ' HIS . 73.5 tt0 -51.01 -46.55 61.58 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.929 . . . . 0.0 108.984 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.12 -41.31 48.34 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.765 0.793 . . . . 0.0 109.889 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.55 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.83 -29.36 55.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.776 -0.577 . . . . 0.0 111.153 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.27 73.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.459 -1.401 . . . . 0.0 107.88 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.83 -36.79 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.169 -0.957 . . . . 0.0 109.199 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 108.606 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' B' ' 9' ' ' ALA . 16.6 mt -45.13 -42.44 8.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.314 -0.866 . . . . 0.0 108.859 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 9' ' ' ALA . 25.1 t70 -50.99 -53.62 31.63 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.62 0.724 . . . . 0.0 109.811 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.56 -46.74 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.624 -0.673 . . . . 0.0 110.994 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.37 -34.59 58.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.372 -1.455 . . . . 0.0 109.372 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.93 -29.66 32.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 110.334 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.14 -44.8 68.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.291 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -74.13 -41.96 60.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.026 -1.046 . . . . 0.0 109.026 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -97.18 60.81 1.7 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.252 -0.905 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.21 -9.28 8.83 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.38 -32.46 73.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.422 -1.046 . . . . 0.0 109.348 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.8 mp0 -147.6 -43.73 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.613 -1.304 . . . . 0.0 109.899 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.58 13.07 0.24 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 48.6 t0 -49.1 -61.52 2.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -1.22 . . . . 0.0 108.4 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.38 12.35 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 45.5 p-80 -116.45 48.51 1.26 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -130.59 148.92 52.44 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.6 142.75 51.13 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.73 153.47 18.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.899 -1.126 . . . . 0.0 109.87 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.562 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.45 -39.3 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.403 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 67.1 m -60.23 -40.29 89.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 110.964 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.81 -33.99 64.42 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.286 -0.965 . . . . 0.0 109.247 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.5 tp -65.83 -43.26 89.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -50.97 -57.68 7.97 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.49 -1.381 . . . . 0.0 108.774 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -50.09 -36.13 28.18 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.425 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.77 -46.58 71.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.735 -1.228 . . . . 0.0 109.436 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.65 -36.45 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.689 -1.257 . . . . 0.0 109.574 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -63.47 -42.11 98.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -0.806 . . . . 0.0 111.322 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 22.5 t-20 -98.46 -18.74 18.06 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.054 -1.029 . . . . 0.0 111.287 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.27 -29.51 15.64 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.699 -1.251 . . . . 0.0 110.742 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.75 30.23 7.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.38 -0.825 . . . . 0.0 108.844 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -68.73 -28.48 66.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.862 . . . . 0.0 109.898 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.438 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 50.2 t-80 -74.29 -50.7 17.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.942 -1.098 . . . . 0.0 109.678 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -61.24 -28.67 69.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.568 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -46.77 -30.87 2.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -0.797 . . . . 0.0 109.45 -179.556 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -77.36 -37.15 52.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.989 -1.069 . . . . 0.0 109.424 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.27 59.69 4.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.313 -0.867 . . . . 0.0 110.101 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.92 110.63 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.93 -56.08 3.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 47.9 mp0 -75.4 106.35 6.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.923 . . . . 0.0 109.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.4 -24.17 34.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.57 -22.17 59.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.194 -0.941 . . . . 0.0 110.287 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.2 -51.52 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.648 -1.282 . . . . 0.0 108.532 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.41 -33.27 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.891 -1.131 . . . . 0.0 109.049 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.91 -42.88 94.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.277 -0.889 . . . . 0.0 109.982 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -70.24 -26.53 63.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 110.122 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 80.8 t -65.77 -56.72 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.806 -1.184 . . . . 0.0 108.189 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.415 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 20.1 mtt -55.08 -26.17 36.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.391 -0.818 . . . . 0.0 109.909 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.95 -35.23 20.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.031 -1.043 . . . . 0.0 109.021 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -69.85 -43.51 71.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.722 -1.236 . . . . 0.0 107.824 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' B' ' 62' ' ' GLU . 72.1 mt -61.83 -57.66 10.96 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.704 -1.248 . . . . 0.0 108.0 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' B' ' 57' ' ' MET . 0.9 OUTLIER -49.44 -20.15 0.66 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 108.984 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' B' ' 60' ' ' LEU . 94.6 mt-10 -103.33 42.49 1.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.187 0.994 . . . . 0.0 109.303 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.2 t0 -43.48 -35.68 1.72 Allowed 'General case' 0 C--N 1.276 -2.611 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.236 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.28 -11.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.486 0 C-N-CA 121.394 -0.431 . . . . 0.0 112.52 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.8 OUTLIER -106.41 -31.39 8.59 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.477 1.638 . . . . 0.0 112.106 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.03 21.41 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.811 -1.806 . . . . 0.0 109.077 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.4 129.4 13.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.105 -1.232 . . . . 0.0 109.91 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.87 127.83 49.91 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.242 -0.911 . . . . 0.0 109.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.73 5.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 109.799 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.443 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 29.4 t80 -75.53 -31.02 59.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.334 -0.854 . . . . 0.0 109.177 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.78 -36.81 75.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.95 -1.094 . . . . 0.0 109.001 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.42 -22.01 61.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.131 -0.981 . . . . 0.0 109.571 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.525 ' O ' HG23 ' B' ' 77' ' ' VAL . 46.2 t80 -75.52 -40.93 56.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.344 -0.847 . . . . 0.0 109.668 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.21 -47.41 67.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.194 -1.566 . . . . 0.0 109.093 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.45 -56.21 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.127 -1.608 . . . . 0.0 111.563 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.15 -37.75 75.25 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.561 -1.337 . . . . 0.0 109.863 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.3 t -63.28 -31.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.147 -0.971 . . . . 0.0 108.74 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.91 -50.44 42.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.0 109.741 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 mmm -49.8 -39.11 37.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.71 -50.49 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.99 -1.069 . . . . 0.0 109.419 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -57.97 -41.78 83.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.127 -0.983 . . . . 0.0 108.696 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -73.98 -20.98 60.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.527 -0.733 . . . . 0.0 109.853 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 10.3 p . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.04 -33.51 75.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -61.41 -49.98 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.835 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' OE1' ' OG ' ' A' ' 1' ' ' SER . 2.6 mp0 -53.16 -47.75 68.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.873 -1.142 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.58 -42.02 55.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.817 0.818 . . . . 0.0 109.771 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.18 -29.32 54.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.684 -0.635 . . . . 0.0 110.451 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.58 -45.02 94.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.713 -1.242 . . . . 0.0 108.475 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.85 -35.86 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.457 -0.777 . . . . 0.0 109.764 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.77 76.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 109.755 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -51.98 -56.23 15.5 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.904 0.859 . . . . 0.0 110.266 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.51 -37.85 47.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.86 -0.525 . . . . 0.0 110.142 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.99 -37.77 72.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.911 -1.118 . . . . 0.0 110.634 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.38 -42.69 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.439 -1.413 . . . . 0.0 109.012 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -54.34 -31.86 55.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.65 -1.281 . . . . 0.0 108.031 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.6 -31.43 47.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.616 -0.677 . . . . 0.0 110.097 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.36 -45.29 72.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.86 . . . . 0.0 109.918 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -72.47 -44.32 62.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.938 -1.101 . . . . 0.0 109.178 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -97.34 60.32 1.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 0.0 109.978 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.72 -9.56 8.28 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.13 -31.85 72.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.603 -0.94 . . . . 0.0 108.976 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' ASP . 36.7 mt-10 -148.69 -45.33 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.644 -1.285 . . . . 0.0 109.877 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.11 15.09 0.17 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 21' ' ' GLU . 89.8 m-20 -48.03 -57.33 5.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -1.191 . . . . 0.0 108.35 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.62 16.82 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -105.87 45.57 0.97 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.84 150.54 52.12 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.904 -0.498 . . . . 0.0 109.776 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.52 140.85 52.56 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.44 153.4 21.19 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.948 -1.095 . . . . 0.0 109.622 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -60.11 -41.47 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 110.338 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -56.38 -37.38 70.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 110.902 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.18 -35.38 28.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.889 -1.132 . . . . 0.0 109.035 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.48 -45.58 88.37 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 2.2 ttmp? -52.78 -57.68 9.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.7 -1.25 . . . . 0.0 108.684 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.63 -37.41 28.01 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.08 -38.21 85.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.989 -1.069 . . . . 0.0 109.439 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.81 -34.66 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.745 -1.222 . . . . 0.0 109.324 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.97 -47.9 75.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.539 -0.726 . . . . 0.0 112.248 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.63 6.22 42.26 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.771 -1.206 . . . . 0.0 111.79 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 3' ' ' LEU . 66.3 mm-40 -122.42 -21.47 5.77 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.023 -1.048 . . . . 0.0 110.854 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.65 24.47 9.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.128 -0.982 . . . . 0.0 109.954 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -73.55 -25.87 60.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.12 -51.39 18.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.145 -0.972 . . . . 0.0 110.043 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -64.23 -16.98 63.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.984 . . . . 0.0 109.39 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -45.82 -33.92 3.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 109.638 -179.497 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.01 -36.13 49.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.039 -1.038 . . . . 0.0 110.269 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.39 56.98 3.81 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 111.062 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.8 128.34 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.14 -55.69 2.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.275 -0.89 . . . . 0.0 109.693 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.32 107.13 6.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.158 -0.964 . . . . 0.0 109.655 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.0 -24.38 30.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.405 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -73.05 -22.53 60.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -0.886 . . . . 0.0 110.143 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.75 -47.54 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.682 -1.261 . . . . 0.0 107.777 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.47 -33.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.026 -1.046 . . . . 0.0 108.985 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.95 -45.84 89.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.44 -0.787 . . . . 0.0 109.647 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -69.84 -25.94 63.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.867 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.89 -56.97 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.783 -1.198 . . . . 0.0 107.919 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.55 -25.84 18.74 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.309 -0.869 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.4 -38.49 15.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.111 -0.993 . . . . 0.0 109.035 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.83 -46.18 72.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 23.0 tp -59.91 -57.57 12.29 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.887 -1.133 . . . . 0.0 108.14 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.08 -18.84 0.62 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 109.36 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 57.6 mm-40 -101.23 41.31 1.2 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 122.21 1.005 . . . . 0.0 109.402 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.3 t0 -44.7 -35.04 2.47 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.231 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.3 -7.17 0.01 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.423 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 63' ' ' ASP . 89.2 m-20 -104.56 -31.21 9.54 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 119.349 1.575 . . . . 0.0 111.99 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.78 -26.12 24.33 Favored Glycine 0 N--CA 1.502 3.058 0 O-C-N 119.858 -1.776 . . . . 0.0 108.881 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.85 131.32 16.7 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.271 -1.135 . . . . 0.0 109.239 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.07 127.22 52.79 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.105 -0.997 . . . . 0.0 109.569 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.09 5.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.32 -0.863 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.25 -25.71 59.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.446 -0.784 . . . . 0.0 109.253 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.38 -36.57 84.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.842 -1.162 . . . . 0.0 108.948 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.52 -22.48 61.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.212 -0.93 . . . . 0.0 109.737 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -76.24 -42.3 46.32 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -0.774 . . . . 0.0 109.203 178.582 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.41 -56.11 9.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.161 -1.587 . . . . 0.0 108.954 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.17 58.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.331 -1.481 . . . . 0.0 110.783 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.52 -34.53 72.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.72 -1.237 . . . . 0.0 109.64 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 73' ' ' PHE . 24.8 t -69.03 -32.9 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.0 108.607 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.33 -53.19 20.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.538 ' O ' ' N ' ' A' ' 83' ' ' ALA . 42.1 mtp -52.08 -52.11 53.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.0 109.895 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.05 -39.78 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.607 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -69.39 -48.73 60.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.039 -1.038 . . . . 0.0 108.82 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.3 p -72.67 -18.4 61.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.498 -0.752 . . . . 0.0 109.703 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 0.0 109.235 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' B' ' 4' ' ' GLU . 10.4 p . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.0 -33.42 75.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.497 HD13 ' OE1' ' A' ' 39' ' ' GLU . 1.1 tt -61.41 -50.01 74.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.804 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.424 ' OE1' ' OG ' ' B' ' 1' ' ' SER . 2.6 mp0 -53.19 -47.72 68.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.932 -1.105 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.7 -41.9 56.39 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.804 0.811 . . . . 0.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.2 -29.38 54.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.699 -0.625 . . . . 0.0 110.459 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.52 -45.0 94.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.743 -1.223 . . . . 0.0 108.457 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -69.96 -35.8 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.454 -0.779 . . . . 0.0 109.708 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.83 76.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.269 -0.894 . . . . 0.0 109.744 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.9 -56.22 15.43 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.884 0.85 . . . . 0.0 110.26 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.2 mt -55.59 -37.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.144 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -70.92 -37.79 72.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.896 -1.127 . . . . 0.0 110.658 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.38 -42.71 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.447 -1.408 . . . . 0.0 108.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.25 -31.86 54.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.664 -1.272 . . . . 0.0 108.013 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.72 -31.39 46.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.605 -0.684 . . . . 0.0 110.056 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.33 -45.24 72.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -72.49 -44.28 62.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.941 -1.099 . . . . 0.0 109.169 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -97.42 60.42 1.61 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.75 -9.53 8.27 Favored Glycine 0 N--CA 1.5 2.953 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.15 -31.77 72.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.616 -0.932 . . . . 0.0 108.973 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 23' ' ' ASP . 36.7 mt-10 -148.75 -45.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.694 -1.254 . . . . 0.0 109.848 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.08 15.11 0.17 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 21' ' ' GLU . 89.7 m-20 -48.07 -57.36 5.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -1.169 . . . . 0.0 108.32 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.52 16.88 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.401 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.0 p-80 -105.81 45.61 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.8 150.49 52.14 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.906 -0.496 . . . . 0.0 109.807 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.51 140.89 52.52 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.41 153.31 21.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.956 -1.09 . . . . 0.0 109.671 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -59.96 -41.59 92.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -37.38 69.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 110.939 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.22 -35.44 28.21 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.984 -1.072 . . . . 0.0 109.006 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.46 -45.61 88.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.439 ' CB ' ' NZ ' ' B' ' 33' ' ' LYS . 2.2 ttmp? -52.84 -57.6 9.66 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.626 -1.296 . . . . 0.0 108.664 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.72 -37.2 28.27 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.23 -38.16 84.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.055 -1.028 . . . . 0.0 109.436 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.82 -34.75 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.733 -1.23 . . . . 0.0 109.287 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -64.89 -47.9 76.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 112.244 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -89.69 6.27 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.814 -1.179 . . . . 0.0 111.759 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.498 ' OE1' HD13 ' A' ' 3' ' ' LEU . 66.3 mm-40 -122.47 -21.49 5.74 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.075 -1.015 . . . . 0.0 110.83 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.59 24.37 9.22 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.24 -0.912 . . . . 0.0 109.98 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -73.5 -25.88 60.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 109.758 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.15 -51.35 18.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.151 -0.968 . . . . 0.0 110.036 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.31 -16.99 63.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.19 -0.944 . . . . 0.0 109.39 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.57 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -45.66 -34.01 3.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.675 -179.57 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.05 -36.09 48.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.44 57.0 3.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 111.079 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 68.7 mt -127.81 128.27 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.12 -55.73 2.36 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.292 -0.88 . . . . 0.0 109.65 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.28 107.14 6.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -84.01 -24.38 30.56 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.072 -1.018 . . . . 0.0 109.402 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -73.05 -22.45 60.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.156 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.1 t -72.81 -47.56 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.628 -1.295 . . . . 0.0 107.733 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.46 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.08 -1.013 . . . . 0.0 108.992 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.94 -45.85 89.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.454 -0.779 . . . . 0.0 109.65 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -69.81 -25.92 64.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.198 -0.939 . . . . 0.0 109.864 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.92 -57.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.734 -1.229 . . . . 0.0 107.887 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.8 mmt -53.5 -25.83 18.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.869 . . . . 0.0 109.486 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.42 -38.51 14.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.132 -0.98 . . . . 0.0 109.035 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.7 -46.22 72.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.93 -57.57 12.31 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.862 -1.149 . . . . 0.0 108.099 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.09 -18.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.44 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -100.76 40.72 1.24 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.128 0.966 . . . . 0.0 109.697 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' B' ' 65' ' ' ASP . 27.5 t0 -45.02 -34.12 2.35 Favored 'General case' 0 C--N 1.276 -2.611 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.23 -8.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.618 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.609 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 63' ' ' ASP . 89.2 m-20 -104.14 -31.17 9.77 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.466 1.633 . . . . 0.0 112.096 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.86 -26.26 23.83 Favored Glycine 0 N--CA 1.499 2.878 0 O-C-N 119.939 -1.726 . . . . 0.0 108.85 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.72 131.22 16.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.279 -1.13 . . . . 0.0 109.244 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.0 127.22 52.77 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.139 -0.976 . . . . 0.0 109.598 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.01 5.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.3 -25.71 59.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.425 -0.797 . . . . 0.0 109.22 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.4 -36.53 84.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.88 -1.138 . . . . 0.0 108.964 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.58 -22.46 61.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -76.3 -42.21 46.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.477 -0.765 . . . . 0.0 109.213 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.5 -56.04 9.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.2 -1.563 . . . . 0.0 108.988 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.2 58.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.366 -1.459 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.51 -34.49 72.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.756 -1.215 . . . . 0.0 109.659 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 73' ' ' PHE . 24.8 t -69.07 -32.86 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.975 . . . . 0.0 108.635 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.35 -53.26 20.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.234 -0.917 . . . . 0.0 109.645 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' B' ' 83' ' ' ALA . 42.2 mtp -52.03 -52.07 53.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.173 -0.954 . . . . 0.0 109.903 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.11 -39.77 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.425 -0.797 . . . . 0.0 109.594 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.7 m -69.43 -48.72 60.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.1 p -72.71 -18.36 61.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.665 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 p . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.07 69.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.66 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.4 tt -59.62 -49.97 75.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.294 -0.879 . . . . 0.0 109.626 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.15 -47.06 84.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.002 -1.061 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -46.63 -42.95 17.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.825 0.821 . . . . 0.0 109.724 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.52 -28.65 41.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.666 -0.646 . . . . 0.0 110.749 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.17 -47.79 82.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.388 -1.445 . . . . 0.0 108.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 0.0 109.536 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.68 81.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.152 -0.967 . . . . 0.0 109.329 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.66 -45.12 27.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.876 -1.14 . . . . 0.0 109.003 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.62 -43.33 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.459 -0.897 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -50.69 -49.44 57.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.561 -0.712 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -76.79 -46.55 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 110.991 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -51.07 -33.82 27.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.531 -1.355 . . . . 0.0 109.319 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -80.47 -30.37 37.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 110.361 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -54.01 -45.02 71.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -73.91 -39.7 63.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.024 -1.047 . . . . 0.0 108.886 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.9 56.61 0.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.79 . . . . 0.0 109.912 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.7 11.09 Favored Glycine 0 N--CA 1.503 3.113 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -65.67 -32.24 73.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.589 -0.948 . . . . 0.0 109.251 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 47.0 mt-10 -146.96 -45.27 0.18 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.29 0.25 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.4 m-20 -47.9 -63.17 1.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.113 -1.227 . . . . 0.0 108.348 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -88.81 172.81 8.94 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.639 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 4.8 p80 -118.98 49.8 1.28 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -130.75 147.16 52.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.894 -0.504 . . . . 0.0 109.646 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.13 52.67 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.04 149.13 25.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.01 -1.056 . . . . 0.0 109.446 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.1 pttm -57.21 -41.31 79.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.849 -1.157 . . . . 0.0 109.695 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 39.9 m -57.76 -39.61 77.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.645 -0.659 . . . . 0.0 111.137 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.27 -34.84 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.905 -1.122 . . . . 0.0 108.922 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -45.14 95.42 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.93 -57.15 12.05 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.687 -1.258 . . . . 0.0 108.829 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.01 -36.56 18.05 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.571 -0.851 . . . . 0.0 108.942 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.44 -36.31 78.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.929 . . . . 0.0 109.698 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.85 -35.73 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.806 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.64 -48.81 68.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 111.819 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.44 5.91 32.85 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.042 -1.036 . . . . 0.0 111.452 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.83 -26.61 3.45 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.989 -1.069 . . . . 0.0 111.178 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.63 12.36 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.1 -1.0 . . . . 0.0 109.138 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.75 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.427 -0.796 . . . . 0.0 109.536 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.434 ' C ' ' ND1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -72.88 -49.82 27.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 0.0 110.067 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.04 -19.2 64.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 109.806 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.48 -25.94 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.436 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -78.48 -39.21 39.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -0.974 . . . . 0.0 109.927 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.1 57.99 3.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.266 -0.896 . . . . 0.0 110.375 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -117.72 104.5 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -83.63 -51.13 7.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.006 -1.059 . . . . 0.0 109.173 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.02 103.09 12.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.118 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.32 -21.47 45.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.93 -1.106 . . . . 0.0 109.468 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.32 -21.97 60.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.6 t -74.69 -49.97 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.62 -1.3 . . . . 0.0 108.071 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.97 -33.52 58.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.886 -1.134 . . . . 0.0 108.917 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.12 -46.57 89.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.33 -0.856 . . . . 0.0 109.647 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.16 -26.85 65.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.061 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.08 -56.15 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.69 -1.256 . . . . 0.0 108.267 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.63 -25.36 38.54 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.358 -0.838 . . . . 0.0 110.4 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -85.73 -35.43 20.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.9 -1.125 . . . . 0.0 109.28 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.91 -47.13 69.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.805 -1.184 . . . . 0.0 108.012 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.23 -56.72 18.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.642 -1.286 . . . . 0.0 107.829 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.16 -22.61 1.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 108.952 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -103.41 41.62 1.25 Allowed 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 122.106 0.955 . . . . 0.0 109.012 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 65' ' ' ASP . 22.9 p-10 -43.85 -34.12 1.52 Allowed 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.726 0.774 . . . . 0.0 109.67 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.17 -9.07 0.01 OUTLIER Glycine 0 N--CA 1.495 2.571 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.82 8.11 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 119.226 1.513 . . . . 0.0 112.101 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -26.09 23.38 Favored Glycine 0 N--CA 1.502 3.087 0 O-C-N 119.836 -1.79 . . . . 0.0 109.494 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -149.3 131.46 15.43 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.095 -1.238 . . . . 0.0 109.776 179.169 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.88 125.48 48.57 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.096 -1.002 . . . . 0.0 109.518 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.2 m-20 -83.81 -173.42 4.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.271 -0.893 . . . . 0.0 110.021 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.84 -26.43 59.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.305 -0.872 . . . . 0.0 109.052 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -62.65 -35.64 80.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.801 -1.187 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -73.18 -23.11 60.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.141 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.2 t80 -78.28 -42.07 32.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 109.566 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.56 -31.14 68.06 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.381 -1.449 . . . . 0.0 109.514 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.31 -55.24 5.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.199 -1.563 . . . . 0.0 110.906 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.28 -33.8 71.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.521 -1.362 . . . . 0.0 109.707 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 73' ' ' PHE . 39.9 t -65.1 -32.38 58.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.262 -0.898 . . . . 0.0 108.619 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.06 -51.28 40.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.48 -40.1 50.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 110.418 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.23 -57.23 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.006 -1.059 . . . . 0.0 109.516 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.6 p -60.39 -38.55 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.05 -1.031 . . . . 0.0 108.503 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -74.64 -20.83 59.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.605 -0.684 . . . . 0.0 110.061 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 O-C-N 120.895 -1.128 . . . . 0.0 108.703 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.04 69.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.944 . . . . 0.0 109.681 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.472 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.4 tt -59.71 -49.89 75.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.621 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.15 -47.11 84.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.055 -1.028 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -46.53 -43.05 16.62 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.827 0.822 . . . . 0.0 109.713 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.53 -28.64 41.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.72 -0.612 . . . . 0.0 110.716 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.12 -47.84 82.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.42 -1.425 . . . . 0.0 108.558 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.485 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.62 81.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.72 -45.11 28.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.927 -1.108 . . . . 0.0 109.008 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.69 -43.25 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.605 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.78 -49.44 58.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.579 -0.701 . . . . 0.0 110.049 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.9 t -76.77 -46.63 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -0.876 . . . . 0.0 110.927 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -50.95 -33.88 26.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.515 -1.366 . . . . 0.0 109.312 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -80.51 -30.34 37.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 110.351 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -53.99 -45.1 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.188 -0.945 . . . . 0.0 109.959 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -73.88 -39.62 63.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.046 -1.034 . . . . 0.0 108.934 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.98 56.63 0.96 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 109.841 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.75 11.05 Favored Glycine 0 N--CA 1.503 3.11 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -65.69 -32.23 73.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.623 -0.927 . . . . 0.0 109.186 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 23' ' ' ASP . 47.0 mt-10 -146.94 -45.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.584 -1.323 . . . . 0.0 109.923 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.27 0.25 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 21' ' ' GLU . 17.4 m-20 -47.91 -63.21 1.13 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.142 -1.21 . . . . 0.0 108.293 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -88.81 172.79 8.95 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CE1' ' NZ ' ' B' ' 26' ' ' LYS . 21.9 p-80 -118.93 49.73 1.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.463 ' NZ ' ' CE1' ' B' ' 25' ' ' HIS . 50.3 mttp -130.75 147.22 52.39 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.12 52.68 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.06 149.12 25.38 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.034 -1.041 . . . . 0.0 109.455 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.1 pttm -57.12 -41.38 78.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.85 -1.156 . . . . 0.0 109.681 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 39.6 m -57.73 -39.66 77.84 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.645 -0.659 . . . . 0.0 111.112 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.21 -34.81 37.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.889 -1.132 . . . . 0.0 108.974 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.77 -45.09 95.7 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.95 -57.1 12.25 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.681 -1.262 . . . . 0.0 108.844 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.1 -36.56 19.02 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.933 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.37 -36.36 79.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 0.0 109.706 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.83 -35.64 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.799 -1.188 . . . . 0.0 109.84 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.66 -48.81 68.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.797 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.43 5.81 33.26 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.022 -1.049 . . . . 0.0 111.463 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.73 -26.64 3.47 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.992 -1.067 . . . . 0.0 111.17 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.62 12.36 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.09 -1.006 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.81 61.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 0.3 OUTLIER -72.8 -49.87 27.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.085 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.1 -19.13 64.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.771 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.492 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.46 -25.93 2.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.288 -0.883 . . . . 0.0 109.474 -179.486 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -78.55 -39.15 38.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.161 -0.962 . . . . 0.0 109.889 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.07 57.93 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.207 -0.933 . . . . 0.0 110.422 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -117.71 104.61 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -83.7 -51.13 7.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.028 -1.045 . . . . 0.0 109.162 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.07 103.15 13.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.885 . . . . 0.0 109.09 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.34 -21.46 45.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.971 -1.081 . . . . 0.0 109.454 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -73.39 -21.97 60.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.174 -0.954 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.6 -49.99 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.678 -1.264 . . . . 0.0 108.107 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.06 -33.44 58.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 120.957 -1.089 . . . . 0.0 108.885 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.21 -46.47 89.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -0.886 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.2 -26.83 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 110.085 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.13 -56.15 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.72 -1.238 . . . . 0.0 108.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.6 -25.47 38.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.469 -0.77 . . . . 0.0 110.323 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -85.65 -35.42 20.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.962 -1.086 . . . . 0.0 109.283 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.96 -47.1 69.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.798 -1.189 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.19 -56.71 18.66 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.681 -1.262 . . . . 0.0 107.841 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.22 -22.54 1.78 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 108.94 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -103.45 41.72 1.24 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.199 0.999 . . . . 0.0 109.272 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' B' ' 65' ' ' ASP . 22.9 p-10 -43.59 -34.37 1.4 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.03 -9.08 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.019 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.581 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.71 8.16 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 119.145 1.473 . . . . 0.0 112.113 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.1 -26.29 22.57 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 119.769 -1.832 . . . . 0.0 109.447 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -149.2 131.51 15.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.129 -1.218 . . . . 0.0 109.715 179.28 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.94 125.53 48.65 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.176 -0.953 . . . . 0.0 109.468 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 1.2 m-20 -83.87 -173.44 4.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.013 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -74.83 -26.37 59.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.087 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.74 -35.62 80.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.936 -1.102 . . . . 0.0 108.372 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -73.14 -23.14 60.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.472 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.2 t80 -78.35 -42.02 31.77 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.52 -31.2 68.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.373 -1.454 . . . . 0.0 109.527 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.25 -55.25 5.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.241 -1.537 . . . . 0.0 110.919 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.25 -33.86 71.54 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.536 -1.352 . . . . 0.0 109.708 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.1 t -65.07 -32.37 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 0.0 108.633 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.12 -51.15 41.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.301 -0.874 . . . . 0.0 109.565 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.56 -40.02 50.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.968 . . . . 0.0 110.447 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.27 -57.24 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.966 -1.084 . . . . 0.0 109.479 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.8 p -60.39 -38.56 84.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.089 -1.007 . . . . 0.0 108.507 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 m -74.69 -20.8 59.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.553 -0.717 . . . . 0.0 110.05 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.162 . . . . 0.0 108.693 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.1 -34.51 78.2 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.066 -1.021 . . . . 0.0 109.385 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.4 tt -57.56 -52.88 63.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.296 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -53.1 -46.96 68.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.76 -44.55 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.947 0.88 . . . . 0.0 109.346 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.72 -29.55 51.26 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.919 -0.488 . . . . 0.0 110.723 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.43 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -62.81 -47.15 84.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.678 -1.264 . . . . 0.0 108.545 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.03 -35.99 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.485 -0.759 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.79 76.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.896 -1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.88 -55.72 21.09 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.955 0.883 . . . . 0.0 110.269 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.04 -43.11 68.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.894 -0.504 . . . . 0.0 110.371 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.93 -36.89 78.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.779 -1.2 . . . . 0.0 110.578 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.65 -36.08 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.479 -1.388 . . . . 0.0 108.91 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.77 -31.77 66.84 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.063 -1.023 . . . . 0.0 108.346 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.08 -30.47 43.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.57 -0.706 . . . . 0.0 109.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.472 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 13.3 tm0? -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.074 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.472 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 24.0 m-85 -75.01 -41.22 59.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.083 -1.01 . . . . 0.0 109.323 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 18' ' ' SER . 15.2 p -97.24 57.58 1.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.58 -11.26 8.02 Favored Glycine 0 N--CA 1.501 3.013 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.14 -29.73 69.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.528 -0.983 . . . . 0.0 108.794 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' ASP . 7.7 pt-20 -147.85 -45.68 0.16 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.675 -1.266 . . . . 0.0 110.02 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.73 7.45 0.28 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' GLU . 57.7 t0 -49.37 -61.88 1.85 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.285 . . . . 0.0 108.269 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.2 -178.43 5.65 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -129.25 48.87 2.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.51 145.82 51.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.76 -0.587 . . . . 0.0 109.717 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.7 142.49 51.36 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -94.67 158.99 15.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.079 -1.013 . . . . 0.0 109.924 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -63.04 -37.95 89.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.08 -43.67 95.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 111.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.25 -33.42 49.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.95 -1.094 . . . . 0.0 109.084 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.04 -43.27 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.51 -56.42 13.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.636 -1.29 . . . . 0.0 108.712 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.6 -34.03 7.32 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.498 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.86 -46.79 70.74 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.925 -1.109 . . . . 0.0 109.476 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.25 -35.15 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.818 -1.176 . . . . 0.0 109.768 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -68.07 -26.8 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 112.145 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.71 -18.86 13.72 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.956 -1.09 . . . . 0.0 111.66 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' C ' HD12 ' A' ' 40' ' ' LEU . 11.0 mm-40 -102.37 -26.12 13.4 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.843 -1.161 . . . . 0.0 110.828 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 39' ' ' GLU . 7.4 mp -112.76 24.02 12.87 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 p -72.85 -26.02 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.485 -0.759 . . . . 0.0 109.734 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.9 -50.35 20.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.065 -1.022 . . . . 0.0 110.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLU . 79.6 m-85 -64.22 -25.58 68.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.145 -0.972 . . . . 0.0 109.669 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.52 -16.88 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.287 -0.883 . . . . 0.0 109.174 -179.561 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' PHE . 54.3 tt0 -82.93 -42.28 17.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 110.144 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -85.7 58.11 4.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.222 -0.924 . . . . 0.0 110.281 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.6 mm -117.38 104.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.515 -0.741 . . . . 0.0 109.058 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.93 -44.52 7.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.143 -0.973 . . . . 0.0 109.524 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLU . 16.7 tp10 -87.56 66.07 8.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.0 108.997 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.31 -20.99 0.06 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 110.69 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' GLU . 20.4 mt-10 -74.04 -24.73 59.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 111.031 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.75 -49.78 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.374 -1.454 . . . . 0.0 108.021 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.17 -33.49 58.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 108.56 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.47 -45.77 90.7 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -68.38 -27.24 66.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 109.706 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.22 -56.07 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.615 -1.303 . . . . 0.0 107.574 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -29.11 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.119 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.18 -38.7 16.15 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.03 -1.044 . . . . 0.0 109.151 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.2 m -66.6 -42.31 87.07 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.72 -57.65 6.0 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.874 -1.141 . . . . 0.0 108.295 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -50.73 -19.49 0.96 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.08 -1.012 . . . . 0.0 109.234 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.33 43.08 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.35 1.071 . . . . 0.0 108.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 65' ' ' ASP . 39.8 t0 -44.22 -32.76 1.35 Allowed 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.405 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.12 -10.45 0.01 OUTLIER Glycine 0 N--CA 1.499 2.883 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.6 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.1 p30 -106.13 -31.48 8.68 Favored 'General case' 0 N--CA 1.512 2.645 0 CA-C-N 119.264 1.532 . . . . 0.0 112.022 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.63 -24.34 27.44 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 119.918 -1.738 . . . . 0.0 109.271 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.74 131.07 15.61 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.123 -1.222 . . . . 0.0 109.719 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 63' ' ' ASP . 10.8 m -105.31 126.92 52.65 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 109.441 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.14 -171.77 3.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.05 -36.12 64.34 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -59.2 -37.53 77.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.866 -1.146 . . . . 0.0 109.288 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -73.78 -24.99 59.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.282 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 10.2 t80 -76.32 -41.15 49.47 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.17 -26.74 67.56 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.639 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.31 42.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.368 -1.457 . . . . 0.0 110.02 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -64.1 -32.63 74.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.556 -1.34 . . . . 0.0 109.354 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.535 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -66.94 -35.65 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 109.23 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 p -71.51 -55.48 7.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.145 -0.972 . . . . 0.0 110.125 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.05 48.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 110.475 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.0 -42.78 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.076 -1.015 . . . . 0.0 109.875 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -68.64 -42.44 78.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.909 -1.119 . . . . 0.0 108.526 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -72.98 -20.4 61.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.525 -0.734 . . . . 0.0 109.742 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.009 -1.057 . . . . 0.0 108.577 179.633 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.1 -34.51 78.21 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.414 HD23 ' O ' ' B' ' 3' ' ' LEU . 3.4 tt -57.53 -52.91 63.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -53.13 -47.04 68.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.948 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.68 -44.57 38.02 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.948 0.88 . . . . 0.0 109.341 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.77 -29.49 50.99 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.43 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -62.88 -47.08 84.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.647 -1.283 . . . . 0.0 108.575 179.561 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.02 -35.97 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.557 -0.714 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.83 76.24 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.877 -1.139 . . . . 0.0 109.22 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.87 -55.79 20.54 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.294 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.02 -43.08 67.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.919 -0.488 . . . . 0.0 110.389 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.794 -1.191 . . . . 0.0 110.569 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.67 -36.09 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.461 -1.399 . . . . 0.0 108.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -57.73 -31.85 66.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.001 -1.062 . . . . 0.0 108.346 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.09 -30.32 43.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 13.3 tm0? -54.81 -45.32 74.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.472 -0.767 . . . . 0.0 110.075 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 24.1 m-85 -74.98 -41.18 60.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 109.339 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.2 p -97.25 57.57 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 109.54 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.52 -11.29 8.05 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.11 -29.71 69.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.982 . . . . 0.0 108.778 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 23' ' ' ASP . 7.8 pt-20 -147.86 -45.78 0.16 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.572 -1.33 . . . . 0.0 109.977 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.75 7.37 0.28 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' B' ' 21' ' ' GLU . 57.7 t0 -49.31 -61.89 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 108.274 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.25 -178.49 5.65 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 1.0 OUTLIER -129.19 48.92 2.3 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.5 145.8 51.92 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.844 -0.535 . . . . 0.0 109.76 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -124.71 142.49 51.36 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.763 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.402 ' H ' HD23 ' B' ' 27' ' ' LEU . 85.6 mttt -94.67 159.01 15.26 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.088 -1.008 . . . . 0.0 109.906 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -63.07 -37.93 89.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.379 -0.826 . . . . 0.0 110.258 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.14 -43.6 95.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.95 . . . . 0.0 111.346 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -78.23 -33.49 49.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.989 -1.07 . . . . 0.0 109.125 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.06 -43.27 92.82 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.44 -56.45 13.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.627 -1.296 . . . . 0.0 108.743 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.68 -33.95 7.51 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.488 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.89 -46.79 70.67 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.849 -1.157 . . . . 0.0 109.442 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.26 -35.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.903 -1.123 . . . . 0.0 109.751 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -67.99 -26.87 66.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 112.192 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.68 -18.83 13.73 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.993 -1.067 . . . . 0.0 111.654 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 40' ' ' LEU . 11.0 mm-40 -102.38 -26.1 13.4 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.774 -1.204 . . . . 0.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.422 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.3 mp -112.76 24.04 12.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.22 -0.925 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -72.89 -26.0 61.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.495 -0.753 . . . . 0.0 109.718 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.96 -50.33 20.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.086 -1.009 . . . . 0.0 109.975 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.462 ' C ' ' N ' ' B' ' 45' ' ' GLU . 79.6 m-85 -64.28 -25.56 68.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.444 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -47.58 -16.83 0.07 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' B' ' 43' ' ' PHE . 54.3 tt0 -82.97 -42.27 17.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 110.109 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -85.69 58.1 4.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.265 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.43 104.27 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.47 -0.769 . . . . 0.0 109.0 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.91 -44.63 7.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.175 -0.953 . . . . 0.0 109.461 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 51' ' ' GLU . 16.6 tp10 -87.53 66.06 8.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.105 -0.997 . . . . 0.0 109.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -45.24 -21.09 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.664 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 49' ' ' GLU . 20.4 mt-10 -74.03 -24.71 59.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 111.023 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.74 -49.84 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.336 -1.478 . . . . 0.0 107.979 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.12 -33.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.019 -1.051 . . . . 0.0 108.519 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.38 -45.8 90.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.489 -0.757 . . . . 0.0 109.448 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -68.46 -27.22 65.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 0.0 109.638 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.15 -56.17 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.657 -1.277 . . . . 0.0 107.58 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -29.16 20.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.462 -0.774 . . . . 0.0 109.109 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.19 -38.62 16.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.0 109.161 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.3 m -66.71 -42.24 86.67 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.74 -57.61 6.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 108.247 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.73 -19.49 0.97 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.244 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -101.25 43.05 1.08 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.369 1.081 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' B' ' 65' ' ' ASP . 40.1 t0 -44.18 -32.72 1.32 Allowed 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.064 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.1 -10.7 0.01 OUTLIER Glycine 0 N--CA 1.494 2.561 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.713 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' B' ' 63' ' ' ASP . 1.1 p30 -105.96 -31.61 8.69 Favored 'General case' 0 N--CA 1.51 2.566 0 CA-C-N 119.237 1.518 . . . . 0.0 111.973 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -24.47 26.78 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 119.872 -1.768 . . . . 0.0 109.216 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.69 130.99 15.58 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.127 -1.219 . . . . 0.0 109.702 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.439 ' SG ' ' CG ' ' B' ' 63' ' ' ASP . 10.8 m -105.31 126.95 52.67 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.12 -0.988 . . . . 0.0 109.454 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.17 -171.74 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.253 -0.904 . . . . 0.0 110.453 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.09 -36.06 64.24 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.26 -37.47 77.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.843 -1.161 . . . . 0.0 109.282 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -73.8 -25.03 59.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.061 -1.025 . . . . 0.0 110.253 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 10.2 t80 -76.36 -41.04 49.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.25 -26.69 67.48 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.354 -1.466 . . . . 0.0 108.649 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.06 -45.24 42.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.346 -1.471 . . . . 0.0 110.028 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.1 -32.68 74.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.579 -1.326 . . . . 0.0 109.321 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.547 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.2 t -66.89 -35.7 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.244 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 p -71.46 -55.54 7.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.143 -0.973 . . . . 0.0 110.161 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.03 48.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.14 -0.975 . . . . 0.0 110.524 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.98 -42.8 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.076 -1.015 . . . . 0.0 109.863 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.9 m -68.71 -42.37 77.79 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.899 -1.125 . . . . 0.0 108.53 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -72.99 -20.43 61.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.538 -0.726 . . . . 0.0 109.731 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.068 -1.02 . . . . 0.0 108.557 179.644 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 54.2 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.41 -33.39 67.82 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -63.41 -49.97 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.863 . . . . 0.0 109.8 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -52.82 -48.2 67.12 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.855 -1.153 . . . . 0.0 109.086 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.59 -43.19 46.14 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.651 0.739 . . . . 0.0 109.724 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.22 -31.02 49.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.758 -0.589 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.37 -47.74 82.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.632 -1.292 . . . . 0.0 107.855 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.76 -37.26 77.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.525 -0.734 . . . . 0.0 109.115 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.09 79.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.282 -0.886 . . . . 0.0 108.704 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.25 -47.24 24.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 108.853 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.7 -43.37 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.89 -50.5 34.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.559 0.695 . . . . 0.0 110.045 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -76.59 -33.9 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.6 -0.688 . . . . 0.0 111.106 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.45 -34.56 75.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.27 -1.519 . . . . 0.0 108.894 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.09 -32.45 33.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.444 -0.785 . . . . 0.0 110.067 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -54.09 -45.87 71.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.39 -47.81 53.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.019 -1.051 . . . . 0.0 109.234 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.3 p -100.07 60.95 1.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.37 -0.831 . . . . 0.0 110.045 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.01 -13.12 5.57 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -66.07 -29.55 69.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -1.044 . . . . 0.0 109.01 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.5 pt-20 -147.6 -45.7 0.17 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.611 -1.306 . . . . 0.0 109.504 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.38 18.02 0.09 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.9 m-20 -48.16 -53.95 15.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.15 -1.206 . . . . 0.0 108.302 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.73 -179.96 5.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -132.84 45.59 2.72 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -137.47 150.14 47.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.609 -0.682 . . . . 0.0 109.427 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.12 142.18 47.7 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.316 -0.865 . . . . 0.0 108.917 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -93.27 149.51 21.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.102 -0.999 . . . . 0.0 109.219 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.546 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -54.77 -38.67 67.51 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.755 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -61.8 -45.16 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 110.547 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -80.33 -36.71 33.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.933 -1.104 . . . . 0.0 108.678 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.71 -43.2 94.21 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.76 -55.66 21.21 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.705 -1.247 . . . . 0.0 108.757 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.91 -35.53 10.71 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.464 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.19 -38.86 86.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.963 -1.086 . . . . 0.0 109.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -59.85 -33.94 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.661 -1.274 . . . . 0.0 109.601 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.79 -55.68 15.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.409 -0.807 . . . . 0.0 111.993 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.82 5.52 18.49 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.046 -1.034 . . . . 0.0 111.867 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 40' ' ' LEU . 78.0 mm-40 -122.49 -26.84 4.51 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.988 -1.07 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 39' ' ' GLU . 6.7 mp -118.53 23.57 11.43 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.01 -28.08 63.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 109.565 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -73.88 -49.72 23.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.21 -18.67 64.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.93 . . . . 0.0 109.401 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -48.27 -51.55 25.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 110.294 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.43 -29.88 64.53 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.193 -0.942 . . . . 0.0 109.697 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.84 59.83 3.76 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.273 -0.892 . . . . 0.0 110.726 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.0 mt -124.17 115.09 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.377 -0.827 . . . . 0.0 108.796 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.67 -47.65 6.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.045 -1.034 . . . . 0.0 109.098 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.78 106.87 17.99 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.347 -0.845 . . . . 0.0 109.265 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.23 -23.5 35.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.01 -22.81 59.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.34 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -75.57 -50.24 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 120.62 -1.3 . . . . 0.0 107.946 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.33 -33.32 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.946 -1.096 . . . . 0.0 108.853 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.14 -44.34 95.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.623 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.0 -26.55 65.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.841 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.21 -55.76 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.75 -1.219 . . . . 0.0 108.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.74 -25.15 17.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.375 -0.828 . . . . 0.0 110.293 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.82 -34.13 21.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.8 -1.188 . . . . 0.0 109.23 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.0 p -67.84 -48.5 66.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.797 -1.189 . . . . 0.0 107.926 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.3 mt -60.13 -57.67 11.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.645 -1.284 . . . . 0.0 108.474 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.61 -23.98 2.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.018 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -101.07 41.17 1.2 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.308 1.052 . . . . 0.0 108.847 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 65' ' ' ASP . 47.5 t0 -43.98 -41.21 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.142 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 -8.32 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.816 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 63' ' ' ASP . 91.6 m-20 -108.56 -8.7 15.45 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-N 119.216 1.508 . . . . 0.0 112.471 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.42 -28.63 2.66 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 119.733 -1.854 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.24 132.89 15.83 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.914 -1.345 . . . . 0.0 110.53 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.2 127.34 51.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.279 -0.888 . . . . 0.0 109.045 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 44.5 t0 -84.58 -174.5 5.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.219 -0.925 . . . . 0.0 109.893 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 23.6 t80 -74.52 -32.56 62.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.352 -0.842 . . . . 0.0 109.068 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -56.98 -37.65 71.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.905 -1.122 . . . . 0.0 108.733 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.48 -24.89 61.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 77' ' ' VAL . 47.8 t80 -76.6 -39.52 52.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.099 -1.0 . . . . 0.0 109.134 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.74 -33.53 72.58 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.492 -1.38 . . . . 0.0 109.006 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.16 4.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.208 -1.558 . . . . 0.0 110.368 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.07 -33.92 65.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.687 -1.258 . . . . 0.0 109.158 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 73' ' ' PHE . 23.7 t -64.66 -35.26 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 108.811 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.6 p -68.16 -52.38 35.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 0.0 109.461 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.14 -41.54 49.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 0.0 110.324 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.41 -50.58 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.3 m -57.15 -43.9 82.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.417 -0.802 . . . . 0.0 109.786 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -59.88 -49.82 76.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.543 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.881 -179.494 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.32 -33.46 67.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.183 -0.948 . . . . 0.0 109.432 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.496 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.1 tt -63.44 -49.89 71.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.814 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -48.16 67.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.838 -1.164 . . . . 0.0 109.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.66 -43.18 46.86 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.701 0.762 . . . . 0.0 109.715 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.17 -31.07 49.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.662 -0.649 . . . . 0.0 110.52 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.36 -47.73 82.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.689 -1.257 . . . . 0.0 107.839 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.8 -37.2 77.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.507 -0.745 . . . . 0.0 109.123 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.03 79.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 108.694 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.3 -47.23 25.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 0.0 108.86 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.71 -43.33 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.88 -50.49 34.68 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.569 0.699 . . . . 0.0 110.055 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.64 -33.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.594 -0.692 . . . . 0.0 111.09 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.54 -34.54 75.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.258 -1.526 . . . . 0.0 108.824 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.12 -32.43 33.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 110.073 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -54.06 -45.87 71.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.761 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.43 -47.88 53.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -100.0 60.97 1.09 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.416 -0.803 . . . . 0.0 110.065 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.02 -13.02 5.6 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -66.13 -29.62 69.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.385 -1.067 . . . . 0.0 108.961 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 23' ' ' ASP . 15.6 pt-20 -147.56 -45.74 0.17 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.607 -1.308 . . . . 0.0 109.513 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.51 18.0 0.1 OUTLIER Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.9 m-20 -48.24 -53.88 15.53 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.157 -1.202 . . . . 0.0 108.296 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.67 -179.97 5.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.87 45.58 2.72 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -137.46 150.15 47.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.631 . . . . 0.0 109.429 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.16 142.18 47.72 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.365 -0.835 . . . . 0.0 108.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -93.21 149.49 21.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.129 -0.982 . . . . 0.0 109.275 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.541 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -54.76 -38.71 67.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.083 -1.01 . . . . 0.0 109.733 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.9 p -61.84 -45.06 95.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 110.565 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -80.37 -36.67 33.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.006 -1.059 . . . . 0.0 108.657 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.79 -43.15 94.56 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.7 -55.74 20.5 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.746 -1.222 . . . . 0.0 108.78 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.89 -35.55 10.66 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.488 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.13 -38.9 86.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.925 -1.109 . . . . 0.0 109.878 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -59.83 -33.89 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.685 -1.259 . . . . 0.0 109.628 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.84 -55.69 15.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.964 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.76 5.5 18.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.032 -1.042 . . . . 0.0 111.87 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.537 ' O ' HD12 ' B' ' 40' ' ' LEU . 78.0 mm-40 -122.51 -26.91 4.49 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.955 -1.091 . . . . 0.0 110.704 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD12 ' O ' ' B' ' 39' ' ' GLU . 6.7 mp -118.51 23.64 11.39 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.238 -0.914 . . . . 0.0 109.225 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -27.99 63.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 0.0 109.582 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -73.88 -49.77 23.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.506 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -64.12 -18.67 64.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.32 -51.55 25.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.796 . . . . 0.0 110.275 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.39 -29.92 64.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.231 -0.918 . . . . 0.0 109.723 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.82 59.82 3.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 110.776 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.14 115.05 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.359 -0.838 . . . . 0.0 108.861 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.59 -47.63 7.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.976 -1.077 . . . . 0.0 109.156 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.81 106.87 18.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.361 -0.837 . . . . 0.0 109.247 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.22 -23.47 35.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.663 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.06 -22.78 59.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.363 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -75.59 -50.28 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.671 -1.268 . . . . 0.0 107.959 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.3 -33.29 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.976 -1.078 . . . . 0.0 108.893 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -60.1 -44.29 94.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.697 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.06 -26.52 65.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 109.824 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.24 -55.75 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.718 -1.239 . . . . 0.0 108.405 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.75 -25.12 17.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.84 -34.1 21.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.765 -1.21 . . . . 0.0 109.289 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -67.82 -48.59 65.81 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.76 -1.212 . . . . 0.0 107.939 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.1 -57.64 11.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.689 -1.257 . . . . 0.0 108.483 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.6 -23.95 2.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.116 -0.99 . . . . 0.0 108.979 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.97 41.1 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.314 1.054 . . . . 0.0 109.156 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.588 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.7 t0 -44.06 -41.11 5.28 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.7 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.06 -8.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.911 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.588 ' H ' ' C ' ' B' ' 63' ' ' ASP . 91.5 m-20 -108.45 -8.69 15.52 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 119.11 1.455 . . . . 0.0 112.626 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.45 -28.81 2.64 Favored Glycine 0 N--CA 1.492 2.421 0 O-C-N 119.66 -1.9 . . . . 0.0 110.355 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.14 132.84 15.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.91 -1.347 . . . . 0.0 110.479 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.22 127.4 51.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.234 -0.916 . . . . 0.0 109.074 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 44.4 t0 -84.56 -174.49 5.3 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.191 -0.943 . . . . 0.0 109.857 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.466 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 23.4 t80 -74.56 -32.57 62.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.0 109.072 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -56.95 -37.67 71.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.006 -1.058 . . . . 0.0 108.787 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.4 -25.05 61.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.57 ' O ' HG23 ' B' ' 77' ' ' VAL . 47.6 t80 -76.57 -39.45 52.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 109.148 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.539 -1.351 . . . . 0.0 109.027 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.85 -56.18 4.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.18 -1.575 . . . . 0.0 110.363 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -55.98 -33.99 65.32 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 109.138 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 73' ' ' PHE . 23.5 t -64.63 -35.28 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 108.75 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.8 p -68.14 -52.44 34.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.0 109.455 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.1 -41.55 48.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.0 110.321 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -73.47 -50.5 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.682 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 35.8 m -57.18 -43.89 83.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 0.0 109.735 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.9 p -59.83 -49.9 75.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.152 -0.967 . . . . 0.0 109.525 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.878 -179.476 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 20' ' ' ARG . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 76' ' ' PHE . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 60' ' ' LEU . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 43' ' ' PHE . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.478 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.461 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.468 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 32' ' ' LEU . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CE2' HG23 ' B' ' 81' ' ' THR . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' B' ' 76' ' ' PHE . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.587 ' O ' HG23 ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' B' ' 60' ' ' LEU . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.45 HG23 ' CE2' ' B' ' 43' ' ' PHE . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.551 ' H2 ' ' HG2' ' A' ' 4' ' ' GLU . 19.7 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 8.9 p -62.72 167.53 4.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.25 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.7 -34.24 62.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 0.0 109.477 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.2 tt -63.1 -48.51 78.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.739 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' HG2' ' H2 ' ' A' ' 0' ' ' MET . 0.7 OUTLIER -51.58 -47.02 63.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.961 -1.087 . . . . 0.0 109.067 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.16 -43.35 41.79 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.802 0.81 . . . . 0.0 109.433 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.12 -31.05 49.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.828 -0.545 . . . . 0.0 110.385 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 tpt -61.18 -47.62 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.716 -1.24 . . . . 0.0 108.262 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.97 -35.6 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.356 -0.84 . . . . 0.0 109.041 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.52 -47.11 82.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.879 . . . . 0.0 108.94 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.14 -47.84 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.982 . . . . 0.0 108.642 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.85 -44.35 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.74 -50.19 45.24 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.405 0.621 . . . . 0.0 110.192 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.64 -35.67 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.448 -0.783 . . . . 0.0 111.177 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.86 -33.9 76.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.245 -1.534 . . . . 0.0 108.645 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.36 -33.09 55.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.639 -0.663 . . . . 0.0 110.047 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.43 -44.54 72.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 109.961 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.43 -44.17 65.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.979 -1.076 . . . . 0.0 109.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.6 61.0 1.34 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.303 -0.873 . . . . 0.0 110.253 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.57 -10.37 9.45 Favored Glycine 0 N--CA 1.502 3.081 0 N-CA-C 107.69 -2.164 . . . . 0.0 107.69 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -65.32 -32.76 74.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.573 -0.957 . . . . 0.0 109.363 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 23.4 mt-10 -146.49 -45.19 0.19 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.604 -1.31 . . . . 0.0 110.184 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.18 11.0 0.19 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.2 m-20 -49.17 -57.18 7.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.067 -1.255 . . . . 0.0 108.545 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.38 -178.23 5.3 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -130.31 46.55 2.64 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.54 149.72 52.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.834 -0.541 . . . . 0.0 109.659 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -123.64 140.0 53.43 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.39 153.92 20.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.971 -1.08 . . . . 0.0 109.658 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 30' ' ' SER . 37.6 pttt -62.7 -42.38 99.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.125 -0.984 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.48 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 23.1 t -55.96 -39.59 71.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.0 110.358 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.13 -33.9 26.18 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.976 -1.078 . . . . 0.0 108.45 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 32' ' ' LEU . 5.2 tt -60.19 -48.13 83.02 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.17 -55.94 17.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.513 -1.367 . . . . 0.0 108.688 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.46 -35.87 9.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 109.318 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -37.85 89.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.866 -1.146 . . . . 0.0 108.276 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.01 -35.03 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.854 -1.154 . . . . 0.0 109.209 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.95 -24.97 66.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.387 -0.821 . . . . 0.0 111.31 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 40.4 t-20 -118.31 4.4 11.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.228 -0.92 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' O ' HD22 ' A' ' 40' ' ' LEU . 6.1 tp10 -123.95 -27.02 3.97 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.188 -0.945 . . . . 0.0 110.525 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 39' ' ' GLU . 3.9 mm? -117.58 13.47 14.32 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.346 -0.846 . . . . 0.0 109.168 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.33 -25.98 61.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -74.2 -50.1 20.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 110.249 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.32 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 109.979 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 47' ' ' ILE . 32.7 tp -48.48 -28.37 3.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.279 -0.888 . . . . 0.0 109.966 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -74.56 -38.26 62.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.931 -1.105 . . . . 0.0 110.027 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 40.3 mt-10 -90.48 55.59 3.07 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.219 -0.926 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 48' ' ' LYS . 52.7 mt -128.8 162.98 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 47' ' ' ILE . 74.8 tttt -143.05 -46.26 0.3 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.803 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.68 60.23 0.34 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.023 -1.048 . . . . 0.0 109.171 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.8 mm100 -44.82 -27.88 0.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.21 -23.33 61.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.34 -48.05 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.67 -35.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 120.896 -1.127 . . . . 0.0 108.945 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.84 -44.54 82.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.88 -26.47 63.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.199 -0.938 . . . . 0.0 109.748 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.7 -57.55 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 120.677 -1.264 . . . . 0.0 108.207 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.58 -27.05 15.21 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.303 -0.873 . . . . 0.0 109.758 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.25 -32.8 22.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.947 -1.096 . . . . 0.0 108.634 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.0 m -69.09 -45.14 71.02 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 76' ' ' PHE . 3.2 mm? -58.86 -58.65 7.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.561 -1.337 . . . . 0.0 108.184 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.93 -23.46 5.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 0.0 109.326 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -101.91 39.92 1.4 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.217 1.008 . . . . 0.0 109.423 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.574 ' C ' ' H ' ' A' ' 65' ' ' ASP . 15.5 t0 -44.79 -39.19 5.05 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.626 0.727 . . . . 0.0 109.978 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 -7.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.576 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 63' ' ' ASP . 14.3 t70 -107.56 -8.41 16.2 Favored 'General case' 0 N--CA 1.512 2.663 0 CA-C-N 119.081 1.44 . . . . 0.0 112.303 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 -28.48 2.55 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 119.714 -1.867 . . . . 0.0 110.449 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -151.3 133.48 15.25 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.898 -1.354 . . . . 0.0 110.226 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.3 m -104.77 126.87 52.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.287 -0.883 . . . . 0.0 109.037 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.37 5.09 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.57 -32.66 64.27 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.82 -36.61 77.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 108.914 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.58 -26.31 61.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -0.955 . . . . 0.0 109.787 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 77' ' ' VAL . 80.9 t80 -75.68 -39.47 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.282 -0.886 . . . . 0.0 109.193 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.84 -28.65 67.74 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.425 -1.422 . . . . 0.0 108.634 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.91 -54.83 6.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.251 -1.531 . . . . 0.0 110.232 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 60' ' ' LEU . 37.2 m-85 -56.95 -32.99 66.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.609 -1.307 . . . . 0.0 109.385 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' PHE . 49.5 t -68.66 -34.76 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.6 p -70.29 -52.98 18.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 109.844 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' ALA . 13.8 mtt -51.46 -50.99 58.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.022 -1.049 . . . . 0.0 109.805 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.6 t -59.62 -42.4 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -69.61 -47.97 61.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.983 . . . . 0.0 108.888 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -72.82 -17.03 61.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 109.832 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -51.41 -40.79 60.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.02 . . . . 0.0 108.799 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 41.7 t -73.42 84.96 1.48 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.77 135.75 3.8 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 110.385 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 57.22 60.21 3.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CE2' ' CZ ' ' A' ' 88' ' ' PHE . 2.9 p90 -69.02 -25.96 64.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.17 -0.956 . . . . 0.0 108.84 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' CE2' ' A' ' 87' ' ' PHE . 56.1 m-85 -52.85 -34.58 54.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 0.0 109.257 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.19 63.58 0.72 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.87 . . . . 0.0 109.28 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.417 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 1.7 t-80 -74.8 117.74 16.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.334 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.429 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.515 ' H2 ' ' HG2' ' B' ' 4' ' ' GLU . 19.7 ttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 4' ' ' GLU . 8.8 p -62.69 167.47 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.0 109.228 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 0.7 OUTLIER -54.66 -34.24 61.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.2 tt -63.1 -48.46 78.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 0.0 109.742 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.515 ' HG2' ' H2 ' ' B' ' 0' ' ' MET . 0.7 OUTLIER -51.64 -47.01 63.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.986 -1.071 . . . . 0.0 109.031 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.05 -43.46 40.85 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.829 0.823 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.06 -31.09 50.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.801 -0.562 . . . . 0.0 110.403 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 tpt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.735 -1.228 . . . . 0.0 108.19 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.96 -35.52 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.398 -0.814 . . . . 0.0 109.061 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.13 82.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 108.92 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.07 -47.88 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -44.38 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.73 -50.25 44.85 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.59 -35.6 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 111.212 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.9 -33.95 76.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.237 -1.539 . . . . 0.0 108.58 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -77.36 -33.04 55.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.605 -0.684 . . . . 0.0 110.085 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.54 72.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 109.966 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.44 -44.18 65.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.088 . . . . 0.0 109.202 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.57 60.98 1.34 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.335 -0.853 . . . . 0.0 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.62 -10.31 9.46 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 107.708 -2.157 . . . . 0.0 107.708 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -65.4 -32.72 74.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.561 -0.964 . . . . 0.0 109.362 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 23' ' ' ASP . 23.3 mt-10 -146.46 -45.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.611 -1.306 . . . . 0.0 110.229 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.23 10.92 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.2 m-20 -49.12 -57.27 6.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.052 -1.263 . . . . 0.0 108.469 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.34 -178.19 5.3 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -130.34 46.53 2.64 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.6 149.7 52.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.525 . . . . 0.0 109.683 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 tp -123.6 140.0 53.44 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.44 153.95 20.76 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.944 -1.097 . . . . 0.0 109.62 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' B' ' 30' ' ' SER . 37.5 pttt -62.67 -42.44 99.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.097 -1.002 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 23.0 t -55.99 -39.58 72.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.361 -0.837 . . . . 0.0 110.317 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -83.18 -33.82 26.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.013 -1.054 . . . . 0.0 108.445 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 32' ' ' LEU . 5.2 tt -60.24 -48.16 82.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.15 -55.84 18.39 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.524 -1.36 . . . . 0.0 108.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.61 -35.8 9.82 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 109.279 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.95 -37.87 89.08 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.902 -1.124 . . . . 0.0 108.32 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 mt -63.98 -35.0 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.864 -1.148 . . . . 0.0 109.251 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.96 -24.99 66.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.781 . . . . 0.0 111.322 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 40.2 t-20 -118.26 4.43 11.91 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.205 -0.935 . . . . 0.0 110.552 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.436 ' O ' HD22 ' B' ' 40' ' ' LEU . 6.1 tp10 -124.0 -27.01 3.95 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.192 -0.942 . . . . 0.0 110.492 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.436 HD22 ' O ' ' B' ' 39' ' ' GLU . 3.9 mm? -117.58 13.5 14.33 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.361 -0.837 . . . . 0.0 109.147 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.43 -25.93 61.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 110.176 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -74.16 -50.15 20.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.096 -1.003 . . . . 0.0 110.268 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -66.25 -19.92 65.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.965 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' B' ' 47' ' ' ILE . 32.8 tp -48.44 -28.38 3.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 0.0 109.994 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -74.51 -38.23 62.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.915 -1.116 . . . . 0.0 110.11 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.438 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 40.4 mt-10 -90.57 55.68 3.07 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.188 -0.945 . . . . 0.0 110.822 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.502 HG22 ' N ' ' B' ' 48' ' ' LYS . 52.1 mt -128.91 162.94 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.502 ' N ' HG22 ' B' ' 47' ' ' ILE . 74.8 tttt -143.01 -46.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.2 -0.938 . . . . 0.0 109.814 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.75 60.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.0 -1.062 . . . . 0.0 109.141 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' B' ' 48' ' ' LYS . 20.8 mm100 -44.87 -27.88 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.367 -0.833 . . . . 0.0 110.506 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.19 -23.39 61.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.089 -1.007 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -73.32 -48.0 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 107.574 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.66 -35.82 74.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.996 -1.065 . . . . 0.0 108.91 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.82 -44.5 82.08 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.502 -0.749 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.96 -26.39 63.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.19 -0.944 . . . . 0.0 109.746 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.74 -57.53 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.663 -1.273 . . . . 0.0 108.184 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.62 -27.01 15.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.732 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.34 -32.84 22.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.919 -1.113 . . . . 0.0 108.57 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.0 m -69.02 -45.16 71.21 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' B' ' 76' ' ' PHE . 3.2 mm? -58.86 -58.64 7.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.564 -1.335 . . . . 0.0 108.201 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.84 -23.48 4.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.35 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -101.95 40.03 1.39 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.28 1.038 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' B' ' 65' ' ' ASP . 15.2 t0 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.275 -2.641 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.491 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.81 -7.79 0.01 OUTLIER Glycine 0 N--CA 1.49 2.266 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.684 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' B' ' 63' ' ' ASP . 14.3 t70 -107.58 -8.35 16.2 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.794 -1.415 . . . . 0.0 112.368 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.11 -28.58 2.56 Favored Glycine 0 N--CA 1.492 2.394 0 O-C-N 119.664 -1.898 . . . . 0.0 110.395 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -151.28 133.43 15.24 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.908 -1.348 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 80.4 m -104.74 126.86 52.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.295 -0.878 . . . . 0.0 109.01 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.44 5.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.18 -0.95 . . . . 0.0 110.139 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.51 -32.7 64.39 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.78 -36.69 77.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.866 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.56 -26.34 61.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.757 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.484 ' O ' HG23 ' B' ' 77' ' ' VAL . 80.9 t80 -75.6 -39.57 57.78 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.311 -0.868 . . . . 0.0 109.195 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.83 -28.68 67.78 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.399 -1.438 . . . . 0.0 108.618 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.83 -54.86 6.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.351 -1.468 . . . . 0.0 110.28 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' B' ' 60' ' ' LEU . 37.6 m-85 -56.92 -32.99 66.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.504 -1.373 . . . . 0.0 109.362 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 73' ' ' PHE . 49.2 t -68.68 -34.8 66.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.264 -0.897 . . . . 0.0 109.055 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.6 p -70.25 -53.01 18.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.896 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 13.9 mtt -51.36 -51.1 57.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.003 -1.061 . . . . 0.0 109.789 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.58 -42.38 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 109.542 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -48.0 61.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 108.859 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -72.87 -16.98 61.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.811 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -51.46 -40.72 60.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.035 . . . . 0.0 108.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 41.8 t -73.4 84.93 1.47 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 135.76 3.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.475 -0.765 . . . . 0.0 110.401 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 57.19 60.23 3.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.447 -0.783 . . . . 0.0 109.974 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.572 ' CE2' ' CZ ' ' B' ' 88' ' ' PHE . 2.9 p90 -69.03 -25.98 64.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.09 -1.006 . . . . 0.0 108.762 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' CE2' ' B' ' 87' ' ' PHE . 55.8 m-85 -52.8 -34.66 54.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 109.232 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -73.04 63.46 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.413 ' NE2' ' OE2' ' B' ' 46' ' ' GLU . 1.7 t-80 -74.73 117.64 16.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.432 -179.895 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p -62.28 172.6 1.42 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.069 -1.019 . . . . 0.0 109.102 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 20' ' ' ARG . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 76' ' ' PHE . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 60' ' ' LEU . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 43' ' ' PHE . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.1 -26.4 37.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' ND1' ' A' ' 85' ' ' HIS . 42.7 t -75.0 151.87 38.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.043 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' ND1' ' SG ' ' A' ' 84' ' ' CYS . 34.8 p-80 -49.86 177.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.23 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.296 -0.877 . . . . 0.0 109.787 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 20.0 p90 -61.51 -24.45 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.696 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 54.4 m-85 -50.77 -38.92 50.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.094 -1.004 . . . . 0.0 109.013 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 91' ' ' GLU . 5.1 mp0 -84.98 67.31 10.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.81 . . . . 0.0 109.1 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.18 35.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p -62.34 172.56 1.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.045 -1.034 . . . . 0.0 109.018 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.478 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.461 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.468 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 32' ' ' LEU . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CE2' HG23 ' B' ' 81' ' ' THR . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.485 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' B' ' 76' ' ' PHE . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.587 ' O ' HG23 ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' B' ' 60' ' ' LEU . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.45 HG23 ' CE2' ' B' ' 43' ' ' PHE . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.14 -26.34 37.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.504 ' SG ' ' ND1' ' B' ' 85' ' ' HIS . 42.5 t -75.15 151.89 38.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.333 -0.855 . . . . 0.0 108.996 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' ND1' ' SG ' ' B' ' 84' ' ' CYS . 34.9 p-80 -49.9 177.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.113 -0.992 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.24 100.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.234 -0.916 . . . . 0.0 109.802 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 20.2 p90 -61.5 -24.42 66.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 54.2 m-85 -50.81 -38.85 50.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.104 -0.997 . . . . 0.0 109.03 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' B' ' 91' ' ' GLU . 5.1 mp0 -85.04 67.32 10.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.431 -0.793 . . . . 0.0 109.087 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -75.19 35.38 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' B' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.401 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.5 p -84.08 174.27 10.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.328 -0.857 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -62.15 -33.47 74.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.965 . . . . 0.0 109.429 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.7 tt -63.26 -53.23 56.21 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 109.708 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.08 -47.82 65.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.657 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.88 -40.25 42.18 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.795 0.807 . . . . 0.0 109.55 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.13 -27.91 54.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.873 -0.517 . . . . 0.0 110.884 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.66 -46.15 89.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.725 -1.234 . . . . 0.0 108.556 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 8' ' ' VAL . 3.0 t -69.74 -35.46 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.497 -0.752 . . . . 0.0 110.003 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.57 77.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.52 -57.74 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.009 0.909 . . . . 0.0 110.133 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.77 -40.05 41.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.544 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.74 -37.67 76.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.927 -1.108 . . . . 0.0 109.906 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.91 -41.38 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.693 -1.254 . . . . 0.0 108.544 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.78 -34.56 74.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.832 -1.168 . . . . 0.0 108.407 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -76.52 -31.58 57.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.785 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.17 -43.4 67.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.78 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.24 -44.62 64.96 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.077 -1.014 . . . . 0.0 109.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -97.35 58.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.327 -0.858 . . . . 0.0 110.149 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.79 -15.09 6.42 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.059 -2.016 . . . . 0.0 108.059 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -63.28 -32.29 73.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.48 -1.012 . . . . 0.0 109.041 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 51.3 mt-10 -147.29 -44.91 0.17 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.679 -1.263 . . . . 0.0 109.018 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.93 17.39 0.09 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 77.5 m-20 -48.22 -57.21 6.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -1.109 . . . . 0.0 108.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 24' ' ' LYS . 9.9 mptt -92.09 176.57 6.45 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 39.3 p-80 -125.41 50.31 1.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -131.52 146.18 52.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.846 -0.534 . . . . 0.0 109.605 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' CYS . 16.1 tp -122.79 144.31 49.27 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -94.14 152.19 18.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.104 -0.997 . . . . 0.0 110.009 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.4 -38.79 74.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 110.219 179.391 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 p -60.19 -40.72 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -79.0 -33.61 44.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 0.0 108.738 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.52 -58.28 7.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.671 -1.268 . . . . 0.0 108.744 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.66 -38.47 55.04 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.95 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.48 -37.87 80.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.123 -0.986 . . . . 0.0 109.612 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.74 -33.87 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 108.638 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.56 -55.77 18.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.542 -0.724 . . . . 0.0 111.678 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.74 5.99 12.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.926 -1.108 . . . . 0.0 111.639 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -122.41 -26.8 4.55 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.992 -1.067 . . . . 0.0 110.412 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.53 24.32 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.124 -0.985 . . . . 0.0 109.875 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.0 -26.18 61.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.181 -0.95 . . . . 0.0 109.808 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -73.17 -50.86 20.24 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.973 -1.08 . . . . 0.0 109.745 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.67 -17.17 60.05 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.29 -0.881 . . . . 0.0 109.346 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.77 -35.04 21.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.766 . . . . 0.0 109.793 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.46 -38.0 68.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.866 -1.146 . . . . 0.0 109.956 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.614 ' CD ' ' HE2' ' A' ' 90' ' ' HIS . 86.2 mt-10 -85.56 59.25 5.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.84 109.39 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.28 -0.887 . . . . 0.0 109.288 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.25 -44.98 9.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.164 -0.96 . . . . 0.0 109.233 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 37.8 mp0 -86.41 103.64 15.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.332 -0.855 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.66 -24.1 39.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 0.0 109.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -74.32 -22.94 59.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.826 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.64 -47.84 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.43 . . . . 0.0 107.727 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -63.29 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.939 -1.101 . . . . 0.0 108.931 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.55 -46.05 90.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.382 -0.824 . . . . 0.0 109.536 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' O ' ' OG1' ' A' ' 59' ' ' THR . 69.8 mmtt -69.49 -26.74 64.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.453 -0.78 . . . . 0.0 109.889 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.48 -56.91 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 108.428 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.43 -26.17 40.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 110.343 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.82 -35.07 20.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.882 -1.136 . . . . 0.0 109.32 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.8 m -68.64 -43.78 75.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.685 -1.259 . . . . 0.0 108.271 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.76 -56.99 14.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.792 -1.192 . . . . 0.0 108.264 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.79 -20.78 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 0.0 109.053 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.3 41.62 1.21 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 122.14 0.971 . . . . 0.0 109.356 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' A' ' 65' ' ' ASP . 32.1 t0 -43.38 -32.31 0.82 Allowed 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.83 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.0 -10.4 0.01 OUTLIER Glycine 0 N--CA 1.498 2.786 0 O-C-N 122.01 -0.431 . . . . 0.0 112.5 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.9 p30 -108.75 -31.7 7.61 Favored 'General case' 0 N--CA 1.515 2.824 0 CA-C-N 119.434 1.617 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.86 23.23 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 119.792 -1.818 . . . . 0.0 109.65 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 46.5 mt-10 -147.37 131.26 17.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.124 -1.221 . . . . 0.0 109.509 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . 3.6 m -105.0 126.88 52.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.191 -0.943 . . . . 0.0 109.192 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.65 -174.36 5.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.907 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.52 -32.6 62.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 108.782 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.75 -37.75 74.18 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.963 -1.086 . . . . 0.0 109.02 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.62 61.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.012 -1.055 . . . . 0.0 109.58 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -72.93 -40.58 65.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.059 -1.026 . . . . 0.0 109.056 178.289 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.59 -53.92 16.54 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.198 -1.564 . . . . 0.0 109.435 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.95 -50.17 67.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.173 -1.579 . . . . 0.0 111.218 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.65 -34.37 78.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.659 -1.276 . . . . 0.0 109.839 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 73' ' ' PHE . 19.7 t -67.15 -35.99 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.131 -0.981 . . . . 0.0 108.858 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 p -65.5 -50.42 65.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.099 -1.001 . . . . 0.0 109.286 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.6 mtp -50.82 -38.43 48.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.341 -0.849 . . . . 0.0 110.562 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.0 t -72.19 -39.06 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.99 -1.069 . . . . 0.0 109.783 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.65 -45.68 74.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.047 . . . . 0.0 108.588 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.96 -18.06 61.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.474 -0.766 . . . . 0.0 109.729 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.12 -31.19 40.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.205 -0.934 . . . . 0.0 109.049 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.602 ' HG ' ' CE1' ' A' ' 85' ' ' HIS . 20.6 t -72.88 149.82 43.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.46 -0.775 . . . . 0.0 109.146 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.602 ' CE1' ' HG ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -49.02 175.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -43.89 101.51 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.898 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 33.7 p90 -66.38 -24.47 66.49 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.13 -0.982 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 49.8 m-85 -51.24 -42.15 60.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 0.0 108.711 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . 45.3 tt0 -94.04 49.22 1.3 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.614 ' HE2' ' CD ' ' A' ' 46' ' ' GLU . 56.8 t-80 -59.09 81.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.435 -0.791 . . . . 0.0 109.449 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' GLU . 64.2 mm-40 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.403 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 77.2 mtp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.4 p -84.14 174.33 10.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.316 -0.865 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -62.17 -33.51 74.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.385 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.467 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.7 tt -63.25 -53.21 56.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 109.735 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.09 -47.83 65.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.01 -1.056 . . . . 0.0 109.599 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.82 -40.31 41.54 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.807 0.813 . . . . 0.0 109.577 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.08 -27.93 54.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.885 -0.509 . . . . 0.0 110.867 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.61 -46.22 89.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.739 -1.226 . . . . 0.0 108.59 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.69 -35.41 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.468 -0.77 . . . . 0.0 110.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.56 77.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.088 -1.007 . . . . 0.0 109.591 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.5 -57.72 8.27 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.094 0.949 . . . . 0.0 110.137 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt -53.81 -40.1 42.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.73 -37.65 76.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.912 -1.118 . . . . 0.0 109.915 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.9 -41.43 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.748 -1.22 . . . . 0.0 108.508 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -60.78 -34.61 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.796 -1.19 . . . . 0.0 108.371 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.48 -31.6 57.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.804 . . . . 0.0 109.981 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.26 -43.3 67.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.524 -0.735 . . . . 0.0 109.772 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -71.2 -44.74 64.81 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.05 -1.031 . . . . 0.0 109.133 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -97.3 58.51 1.52 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 110.171 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -15.01 6.41 Favored Glycine 0 N--CA 1.503 3.158 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -63.34 -32.21 73.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -1.068 . . . . 0.0 109.059 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 51.3 mt-10 -147.38 -44.82 0.17 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.739 -1.225 . . . . 0.0 108.994 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 44.87 17.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 77.6 m-20 -48.18 -57.29 6.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -1.106 . . . . 0.0 108.139 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' B' ' 24' ' ' LYS . 9.9 mptt -92.06 176.52 6.47 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 39.4 p-80 -125.39 50.4 1.8 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -131.62 146.2 52.08 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' B' ' 68' ' ' CYS . 16.2 tp -122.84 144.22 49.34 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -94.05 152.17 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.559 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.3 -38.89 74.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.252 179.36 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.42 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 p -60.12 -40.76 90.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.81 . . . . 0.0 110.993 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.92 -33.68 45.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 108.738 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.34 -42.73 99.17 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.58 -58.25 7.85 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.671 -1.268 . . . . 0.0 108.745 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.73 -38.37 54.99 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.998 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.5 -37.84 80.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.091 -1.006 . . . . 0.0 109.674 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.7 -33.93 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.618 -1.301 . . . . 0.0 108.651 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.57 -55.77 18.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.55 -0.719 . . . . 0.0 111.678 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.69 5.99 11.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.985 -1.072 . . . . 0.0 111.692 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -122.46 -26.81 4.53 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.026 -1.046 . . . . 0.0 110.371 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -121.49 24.36 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.136 -0.978 . . . . 0.0 109.896 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.04 -26.18 61.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.202 -0.936 . . . . 0.0 109.81 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -73.13 -50.88 20.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.022 -1.049 . . . . 0.0 109.746 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.73 -17.06 60.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.298 -0.876 . . . . 0.0 109.382 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.56 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.81 -35.11 21.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.749 -179.511 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.37 -37.97 68.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.844 -1.16 . . . . 0.0 110.03 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.633 ' CD ' ' HE2' ' B' ' 90' ' ' HIS . 86.2 mt-10 -85.54 59.21 5.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.85 109.3 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.2 -45.06 9.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -0.982 . . . . 0.0 109.176 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 37.9 mp0 -86.31 103.69 15.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.288 -0.883 . . . . 0.0 109.229 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.72 -24.17 38.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.942 -1.099 . . . . 0.0 109.518 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -74.31 -22.93 59.04 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 110.769 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -72.66 -47.77 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.421 -1.425 . . . . 0.0 107.821 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.4 t -63.3 -32.76 57.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.005 -1.06 . . . . 0.0 108.916 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.6 -45.96 90.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.349 -0.845 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -69.56 -26.71 64.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 109.861 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 91.2 t -66.52 -56.89 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.735 -1.228 . . . . 0.0 108.434 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.45 -26.19 40.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.792 . . . . 0.0 110.315 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.79 -35.13 20.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.896 -1.128 . . . . 0.0 109.281 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.61 -43.76 75.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.647 -1.283 . . . . 0.0 108.277 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.83 -56.93 15.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.723 -1.236 . . . . 0.0 108.242 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.76 -20.79 1.37 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 0.0 109.015 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -102.34 41.62 1.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 122.235 1.016 . . . . 0.0 109.622 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' B' ' 65' ' ' ASP . 32.3 t0 -43.06 -32.59 0.7 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.455 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -10.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 O-C-N 122.038 -0.413 . . . . 0.0 112.639 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 63' ' ' ASP . 1.9 p30 -108.68 -31.79 7.6 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 119.35 1.575 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.67 -25.93 22.79 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.779 -1.825 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.4 mt-10 -147.3 131.25 17.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.109 -1.23 . . . . 0.0 109.45 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 3.6 m -105.04 126.85 52.52 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.249 -0.907 . . . . 0.0 109.172 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.57 -174.39 5.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.53 -32.55 62.51 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 108.819 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.74 -37.78 74.2 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.923 -1.11 . . . . 0.0 109.025 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.58 61.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.023 -1.048 . . . . 0.0 109.53 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.492 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -72.99 -40.63 65.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.018 -1.052 . . . . 0.0 109.047 178.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.54 -53.92 16.64 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.22 -1.55 . . . . 0.0 109.477 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.88 -50.22 66.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.159 -1.588 . . . . 0.0 111.187 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.73 -34.32 77.92 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.631 -1.293 . . . . 0.0 109.821 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 73' ' ' PHE . 19.7 t -67.16 -35.95 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 0.0 108.908 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 14.1 p -65.53 -50.38 65.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 109.32 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 76.8 mtp -50.85 -38.45 49.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -0.872 . . . . 0.0 110.545 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.06 -39.2 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.953 -1.092 . . . . 0.0 109.791 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.61 -45.71 74.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.949 -1.094 . . . . 0.0 108.598 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.91 -18.0 61.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.537 -0.727 . . . . 0.0 109.777 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.14 -31.17 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 109.064 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.545 ' HG ' ' CE1' ' B' ' 85' ' ' HIS . 20.6 t -72.9 149.75 43.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 0.0 109.17 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.545 ' CE1' ' HG ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -48.89 175.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.156 -0.965 . . . . 0.0 109.155 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -43.87 101.53 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 109.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 33.4 p90 -66.48 -24.39 66.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.187 -0.946 . . . . 0.0 109.219 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 50.0 m-85 -51.24 -42.18 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 0.0 108.678 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 91' ' ' GLU . 45.2 tt0 -94.0 49.18 1.3 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.633 ' HE2' ' CD ' ' B' ' 46' ' ' GLU . 56.9 t-80 -59.1 81.66 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.524 -0.735 . . . . 0.0 109.464 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 89' ' ' GLU . 64.1 mm-40 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.413 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.216 0.531 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p -68.79 169.74 10.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.305 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -57.36 -34.93 69.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.8 tt -61.7 -48.46 80.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 109.732 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -49.86 -46.4 51.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.246 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.13 -41.1 35.05 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.879 0.847 . . . . 0.0 109.257 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.733 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.42 -32.39 42.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.831 -0.543 . . . . 0.0 110.84 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -46.65 88.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.736 -1.228 . . . . 0.0 108.294 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.578 -0.701 . . . . 0.0 109.549 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -48.59 79.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.282 -0.886 . . . . 0.0 109.292 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.99 -55.56 16.77 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 122.031 0.919 . . . . 0.0 109.932 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.477 HG23 ' CD1' ' B' ' 87' ' ' PHE . 95.4 mt -54.74 -41.31 55.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.662 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.03 -36.71 72.47 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.785 -1.197 . . . . 0.0 110.684 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.06 -42.43 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.397 -1.439 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.63 -31.93 62.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.672 -1.268 . . . . 0.0 107.88 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.75 -32.68 52.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.482 -0.761 . . . . 0.0 109.874 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.71 -45.43 70.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.429 -0.794 . . . . 0.0 110.097 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -72.39 -47.18 51.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.0 -1.062 . . . . 0.0 109.492 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.12 59.78 1.17 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 109.92 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.44 -14.11 4.52 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -65.82 -27.49 68.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.273 -1.134 . . . . 0.0 109.004 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.3 tt0 -146.35 -46.12 0.19 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.576 -1.327 . . . . 0.0 109.215 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 19.3 0.13 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.0 t70 -49.3 -55.04 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.077 -1.249 . . . . 0.0 108.174 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.88 163.02 14.54 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.71 45.15 1.26 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.13 152.05 51.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 109.56 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -123.16 140.97 52.47 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -89.4 153.2 21.03 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.961 -1.087 . . . . 0.0 109.545 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -39.62 92.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.1 -1.0 . . . . 0.0 110.066 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.24 -41.11 87.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.423 -0.798 . . . . 0.0 111.184 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.25 -34.7 36.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.008 -1.057 . . . . 0.0 109.1 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.75 -44.27 97.22 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -53.38 -55.51 24.36 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.738 -1.226 . . . . 0.0 109.099 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -47.14 -34.34 6.03 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.709 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.16 -43.83 77.34 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.82 -1.175 . . . . 0.0 109.477 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.03 -38.05 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.728 -1.232 . . . . 0.0 109.373 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.39 -26.77 68.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.44 -0.787 . . . . 0.0 111.253 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -116.06 4.75 13.74 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.23 -0.919 . . . . 0.0 111.09 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 40' ' ' LEU . 6.7 tp10 -120.32 -28.55 5.01 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.064 -1.023 . . . . 0.0 110.514 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.3 mp -118.03 23.63 11.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.357 -0.839 . . . . 0.0 108.816 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.26 -25.71 63.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.579 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.54 -42.93 61.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.163 -0.961 . . . . 0.0 109.381 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -69.89 -23.44 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.52 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.94 -29.38 3.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 0.0 109.663 -179.285 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.03 -41.13 64.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.871 -1.143 . . . . 0.0 109.954 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' OE1' ' NE2' ' A' ' 90' ' ' HIS . 25.4 mt-10 -87.23 59.38 5.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.273 -0.892 . . . . 0.0 110.0 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.53 102.04 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.434 -0.791 . . . . 0.0 109.074 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 85' ' ' HIS . 29.9 mmtm -87.08 -40.68 14.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 mp0 -85.62 105.81 16.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.295 -0.878 . . . . 0.0 109.199 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 24.9 mp0 -82.96 -28.43 29.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.106 -0.996 . . . . 0.0 109.561 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.49 -22.2 60.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.434 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.09 -50.35 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.697 -1.252 . . . . 0.0 108.238 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.32 -33.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.885 -1.134 . . . . 0.0 109.018 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.16 -42.76 91.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.19 -26.76 64.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.4 -55.56 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 120.681 -1.262 . . . . 0.0 108.329 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.64 -25.33 17.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -85.66 -34.84 21.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.882 -1.136 . . . . 0.0 109.349 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.15 -48.92 66.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 108.137 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.41 -56.72 18.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.633 -1.292 . . . . 0.0 108.257 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.74 -24.7 6.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.234 -0.917 . . . . 0.0 109.199 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.87 39.75 1.35 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 122.26 1.029 . . . . 0.0 109.18 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.9 t70 -45.22 -35.32 3.24 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.59 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.95 -8.84 0.01 OUTLIER Glycine 0 N--CA 1.497 2.718 0 CA-C-O 119.759 -0.467 . . . . 0.0 112.649 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 63' ' ' ASP . 2.7 p30 -106.2 -31.47 8.65 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 119.658 1.729 . . . . 0.0 112.324 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 104.39 -26.57 22.36 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 119.898 -1.751 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 49.1 mt-10 -148.83 130.92 15.38 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.058 -1.26 . . . . 0.0 109.781 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.5 125.96 49.39 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.1 -1.0 . . . . 0.0 109.284 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 29.1 t70 -83.93 -174.63 5.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 109.818 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.1 t80 -76.39 -33.92 58.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 109.232 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.94 -39.25 81.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.914 -1.116 . . . . 0.0 109.063 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.38 -23.21 61.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 23.5 t80 -77.58 -41.38 39.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.736 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.81 -27.2 67.37 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.226 -1.546 . . . . 0.0 108.762 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 -52.47 9.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.31 -1.494 . . . . 0.0 110.246 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 -33.93 71.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.605 -1.309 . . . . 0.0 109.608 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.57 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 45.5 t -63.59 -33.49 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.094 -1.004 . . . . 0.0 108.982 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.3 p -70.48 -52.56 21.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 0.0 110.235 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 83.8 mtp -50.35 -38.49 42.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.236 -0.915 . . . . 0.0 110.918 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.51 -49.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.964 -1.085 . . . . 0.0 109.862 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m -60.16 -41.64 93.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.937 -1.102 . . . . 0.0 108.742 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.4 p -73.03 -21.24 60.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.56 -0.713 . . . . 0.0 109.833 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.54 -26.98 56.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.048 -1.032 . . . . 0.0 109.065 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' HIS . 19.1 p -73.55 150.07 41.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.417 -0.802 . . . . 0.0 109.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.509 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -47.91 174.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.887 . . . . 0.0 109.727 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -47.45 99.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.383 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 30.1 p90 -64.9 -24.55 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 23.9 m-85 -52.88 -42.02 64.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.03 -1.044 . . . . 0.0 108.992 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' GLU . 49.8 mt-10 -103.31 55.27 0.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.743 -0.598 . . . . 0.0 109.539 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.457 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 11.7 t-80 -67.0 67.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.234 -0.916 . . . . 0.0 109.327 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' GLU . 41.8 mm-40 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p -68.83 169.74 10.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.259 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -57.32 -34.92 69.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.538 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.8 tt -61.69 -48.5 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.274 -0.892 . . . . 0.0 109.726 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.84 -46.44 51.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 109.194 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.14 -41.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.854 0.835 . . . . 0.0 109.294 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.733 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.48 -32.4 42.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.839 -0.538 . . . . 0.0 110.815 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.654 -1.279 . . . . 0.0 108.306 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.548 -0.72 . . . . 0.0 109.541 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 109.339 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.02 -55.48 17.24 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.025 0.917 . . . . 0.0 109.952 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.477 HG23 ' CD1' ' A' ' 87' ' ' PHE . 95.4 mt -54.89 -41.24 56.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.98 -36.86 72.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.849 -1.157 . . . . 0.0 110.697 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.96 -42.45 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.374 -1.454 . . . . 0.0 108.936 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.61 -31.85 62.6 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.715 -1.241 . . . . 0.0 107.953 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.82 -32.66 52.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.541 -0.724 . . . . 0.0 109.896 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.575 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 1.4 tm0? -53.69 -45.43 70.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.461 -0.774 . . . . 0.0 110.144 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -72.33 -47.25 51.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.988 -1.07 . . . . 0.0 109.47 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.1 59.83 1.17 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.345 -0.847 . . . . 0.0 109.843 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.45 -14.1 4.52 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -65.77 -27.56 68.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -1.173 . . . . 0.0 109.018 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.3 tt0 -146.27 -46.15 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.604 -1.31 . . . . 0.0 109.213 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.28 19.35 0.13 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 21' ' ' GLU . 14.9 t70 -49.33 -55.06 14.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.991 -1.299 . . . . 0.0 108.13 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.92 163.07 14.51 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.77 45.27 1.25 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.17 152.05 51.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.747 -0.596 . . . . 0.0 109.558 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.0 tp -123.23 140.99 52.45 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -89.41 153.17 21.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.977 -1.077 . . . . 0.0 109.575 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.65 92.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.054 -1.029 . . . . 0.0 110.061 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.23 -41.14 88.01 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.16 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.24 -34.69 36.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.01 -1.056 . . . . 0.0 109.137 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.66 -44.42 96.99 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -53.33 -55.51 24.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.808 -1.183 . . . . 0.0 109.077 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -47.19 -34.3 6.2 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.668 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.13 -43.89 77.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.811 -1.181 . . . . 0.0 109.413 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.04 -38.01 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.69 -1.256 . . . . 0.0 109.392 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.47 -26.65 68.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 111.272 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -116.11 4.79 13.7 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.266 -0.896 . . . . 0.0 111.083 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.442 ' O ' HD12 ' B' ' 40' ' ' LEU . 6.7 tp10 -120.29 -28.58 5.01 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.104 -0.997 . . . . 0.0 110.505 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.442 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.3 mp -118.02 23.61 11.53 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.25 -25.76 63.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.423 -0.798 . . . . 0.0 109.538 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.49 -42.94 61.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.375 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -69.91 -23.37 63.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.06 -29.33 3.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 109.648 -179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.05 -41.17 64.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.971 -1.08 . . . . 0.0 109.916 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.456 ' OE1' ' NE2' ' B' ' 90' ' ' HIS . 25.4 mt-10 -87.28 59.42 5.54 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.255 -0.903 . . . . 0.0 110.004 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.54 102.03 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.494 ' HZ3' ' CE1' ' B' ' 85' ' ' HIS . 29.9 mmtm -86.98 -40.76 14.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.983 . . . . 0.0 109.37 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 7.9 mp0 -85.6 105.76 16.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.454 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 24.9 mp0 -82.92 -28.38 29.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.049 -1.032 . . . . 0.0 109.526 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -73.67 -22.03 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.375 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -75.18 -50.36 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.651 -1.281 . . . . 0.0 108.186 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.3 -33.9 63.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.942 -1.099 . . . . 0.0 109.035 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.23 -42.69 91.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -70.21 -26.75 64.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.828 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.32 -55.61 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.67 -1.269 . . . . 0.0 108.372 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.67 -25.23 17.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.384 -0.823 . . . . 0.0 110.216 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -85.77 -34.76 21.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.89 -1.131 . . . . 0.0 109.373 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -48.87 66.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.673 -1.267 . . . . 0.0 108.131 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.51 -56.64 19.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.549 -1.344 . . . . 0.0 108.221 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.72 -24.7 6.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.16 -0.962 . . . . 0.0 109.194 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.73 39.66 1.35 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.263 1.03 . . . . 0.0 109.559 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 65' ' ' ASP . 35.2 t70 -45.29 -35.15 3.27 Favored 'General case' 0 C--N 1.275 -2.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.117 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.94 -9.23 0.01 OUTLIER Glycine 0 N--CA 1.494 2.528 0 O-C-N 122.057 -0.402 . . . . 0.0 112.846 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' B' ' 63' ' ' ASP . 2.7 p30 -106.08 -31.38 8.74 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.597 1.698 . . . . 0.0 112.356 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 104.43 -26.69 21.97 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 119.884 -1.76 . . . . 0.0 109.554 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 49.1 mt-10 -148.77 130.88 15.4 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.038 -1.272 . . . . 0.0 109.762 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.49 125.94 49.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.136 -0.977 . . . . 0.0 109.28 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 29.0 t70 -83.91 -174.68 5.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.759 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.479 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 28.9 t80 -76.36 -33.85 58.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.308 -0.87 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -59.03 -39.2 81.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.904 -1.122 . . . . 0.0 109.01 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.37 -23.25 61.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.148 -0.97 . . . . 0.0 109.506 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.562 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 23.6 t80 -77.57 -41.39 39.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.357 -0.839 . . . . 0.0 109.712 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.82 -27.24 67.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.207 -1.558 . . . . 0.0 108.77 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.4 9.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.296 -1.503 . . . . 0.0 110.264 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.3 -33.94 71.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.598 -1.314 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.562 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.5 t -63.64 -33.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.109 -0.994 . . . . 0.0 108.971 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 52.2 p -70.32 -52.61 21.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 110.26 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 83.9 mtp -50.34 -38.51 42.4 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 0.0 110.868 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.52 -50.01 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -60.11 -41.65 93.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.859 -1.151 . . . . 0.0 108.767 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -73.06 -21.18 60.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.735 . . . . 0.0 109.817 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.53 -27.04 56.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.073 -1.017 . . . . 0.0 109.044 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.431 ' O ' ' O ' ' B' ' 85' ' ' HIS . 19.0 p -73.53 150.06 41.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.403 -0.811 . . . . 0.0 109.441 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.502 ' N ' ' ND1' ' B' ' 85' ' ' HIS . 0.5 OUTLIER -47.91 174.34 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.77 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -47.55 99.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.174 -0.954 . . . . 0.0 109.391 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.636 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 30.1 p90 -64.87 -24.49 67.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.114 -0.991 . . . . 0.0 109.568 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.636 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 24.0 m-85 -52.85 -42.06 64.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.027 . . . . 0.0 109.031 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' B' ' 91' ' ' GLU . 49.7 mt-10 -103.22 55.15 0.75 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.754 -0.591 . . . . 0.0 109.513 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.456 ' NE2' ' OE1' ' B' ' 46' ' ' GLU . 11.8 t-80 -66.99 67.57 0.07 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 89' ' ' GLU . 41.7 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.497 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p -61.09 165.95 3.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.239 -0.913 . . . . 0.0 109.302 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.32 -35.54 69.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.193 -0.942 . . . . 0.0 109.538 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.45 -54.54 45.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.851 . . . . 0.0 109.663 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -54.97 -47.38 74.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.31 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -48.52 -43.47 35.28 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.762 0.791 . . . . 0.0 109.686 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.15 -28.66 42.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.803 -0.561 . . . . 0.0 110.767 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.491 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -58.94 -41.72 88.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.501 -1.374 . . . . 0.0 108.326 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.3 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.2 69.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.254 -0.904 . . . . 0.0 110.13 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.97 -57.83 9.03 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.033 0.921 . . . . 0.0 109.899 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.496 ' CG2' ' CD1' ' B' ' 87' ' ' PHE . 63.0 mt -57.85 -39.16 69.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.085 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -69.51 -36.4 76.41 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.045 -1.034 . . . . 0.0 110.774 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.39 -34.97 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.396 -1.44 . . . . 0.0 109.459 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -60.25 -33.68 72.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.762 -1.211 . . . . 0.0 108.109 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.78 -30.38 61.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.497 -0.752 . . . . 0.0 109.646 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -54.93 -45.25 74.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -70.41 -43.02 70.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.062 -1.023 . . . . 0.0 109.238 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -96.95 61.06 1.78 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.05 -8.96 11.1 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.48 -31.95 73.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.546 -0.973 . . . . 0.0 109.328 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 23' ' ' ASP . 88.8 mt-10 -148.79 -45.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.604 -1.31 . . . . 0.0 110.172 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.3 12.26 0.3 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.1 t0 -47.93 -59.46 3.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -1.153 . . . . 0.0 108.634 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 21.0 pttm -90.25 177.63 6.37 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -122.84 47.34 1.98 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -134.64 147.61 50.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.749 -0.594 . . . . 0.0 109.995 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 tp -122.22 142.39 50.48 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.82 154.75 19.28 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.889 -1.132 . . . . 0.0 109.605 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.57 -40.14 86.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.069 -1.019 . . . . 0.0 109.961 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.8 p -57.08 -39.79 75.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.296 -0.878 . . . . 0.0 111.11 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.06 -33.84 29.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.757 -1.214 . . . . 0.0 108.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 32' ' ' LEU . 4.0 tt -59.91 -46.46 89.3 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.79 -56.62 14.34 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.37 -1.456 . . . . 0.0 108.877 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.69 -35.95 15.05 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.229 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD11 ' OE2' ' A' ' 39' ' ' GLU . 17.0 tp -66.09 -39.88 90.34 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 109.524 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.92 -40.23 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.83 -1.169 . . . . 0.0 109.549 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.75 -25.28 66.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 112.278 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -113.66 -17.91 12.02 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.002 -1.062 . . . . 0.0 111.752 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' OE2' HD11 ' A' ' 35' ' ' LEU . 59.4 mt-10 -97.89 -22.43 16.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.683 -1.261 . . . . 0.0 110.936 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.88 29.14 7.71 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.155 -0.965 . . . . 0.0 109.571 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -26.6 61.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.504 -0.747 . . . . 0.0 110.223 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -73.96 -52.15 13.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.979 -1.075 . . . . 0.0 110.129 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -63.97 -23.17 67.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.945 . . . . 0.0 109.533 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -48.77 -30.98 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.307 -0.871 . . . . 0.0 109.045 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -72.79 -39.21 66.89 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.101 -0.999 . . . . 0.0 109.115 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.42 58.27 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.66 149.19 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.76 -50.71 0.5 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.3 mt-10 -74.14 62.34 0.91 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.0 108.68 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.95 -24.9 0.16 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.404 -0.81 . . . . 0.0 110.338 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' GLU . 22.8 mt-10 -73.76 -22.64 59.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.107 -0.996 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.04 -50.28 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.613 -1.305 . . . . 0.0 107.93 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.56 -33.7 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.932 -1.105 . . . . 0.0 109.084 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -59.98 -44.6 94.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.61 -26.01 64.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.895 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.74 -56.52 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.825 -1.172 . . . . 0.0 108.175 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.32 15.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 110.211 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.62 -34.45 21.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.766 -1.209 . . . . 0.0 109.452 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 p -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.687 -1.258 . . . . 0.0 108.236 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.3 mp -61.43 -56.83 15.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.633 -1.292 . . . . 0.0 108.285 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.17 -24.25 6.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 0.0 109.298 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.4 41.52 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 122.343 1.068 . . . . 0.0 109.014 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.9 t70 -43.99 -34.73 1.8 Allowed 'General case' 0 C--N 1.275 -2.672 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.786 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.88 -12.45 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 O-C-N 121.987 -0.446 . . . . 0.0 112.545 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.2 p30 -104.58 -31.21 9.53 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 119.584 1.692 . . . . 0.0 111.915 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 105.27 -25.57 24.5 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.974 -1.704 . . . . 0.0 109.339 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.41 129.44 15.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.15 -1.206 . . . . 0.0 109.798 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 49.0 m -101.64 125.07 48.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.99 -1.069 . . . . 0.0 109.192 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 30.6 t70 -83.2 -174.66 5.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.233 -0.917 . . . . 0.0 109.875 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.462 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.3 t80 -74.9 -33.73 62.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.323 -0.861 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.31 -37.62 81.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.094 . . . . 0.0 109.103 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.62 -25.93 61.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.075 -1.016 . . . . 0.0 109.878 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.9 t80 -74.86 -41.53 59.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.349 -0.845 . . . . 0.0 109.801 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -64.46 -48.49 75.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.045 -1.659 . . . . 0.0 108.061 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.0 63.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.422 -1.424 . . . . 0.0 110.996 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CD1' HD11 ' A' ' 60' ' ' LEU . 25.8 m-85 -70.17 -32.04 69.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.413 -1.43 . . . . 0.0 109.757 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 54.9 t -65.14 -34.28 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 0.0 109.206 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.2 p -71.31 -53.9 12.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.054 -1.029 . . . . 0.0 109.96 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.416 ' N ' ' OG ' ' A' ' 78' ' ' SER . 9.7 mtt -50.57 -39.4 49.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.228 -0.92 . . . . 0.0 110.675 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.18 -49.49 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.757 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.496 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 34.4 m -62.45 -41.51 98.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.146 -0.971 . . . . 0.0 108.905 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -67.71 -21.07 65.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.2 63.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.149 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.0 p -71.6 152.85 42.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 109.431 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 5.7 m80 -43.63 156.84 0.05 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -50.38 103.05 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.133 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 42.1 p90 -61.09 -23.63 65.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 110.063 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CE1' ' CZ ' ' A' ' 87' ' ' PHE . 56.8 m-85 -50.99 -40.7 58.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.953 -1.092 . . . . 0.0 109.303 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' CD ' ' N ' ' A' ' 89' ' ' GLU . 16.9 mp0 -100.34 57.43 0.94 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.383 -0.823 . . . . 0.0 109.547 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.449 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 0.9 OUTLIER -60.02 90.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.921 . . . . 0.0 109.265 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.457 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.53 ' SD ' ' N ' ' B' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p -61.15 166.0 3.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.29 -35.56 69.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.543 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.47 -54.45 46.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 0.0 109.724 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -54.95 -47.47 74.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.192 -0.943 . . . . 0.0 109.261 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -48.46 -43.45 34.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.791 0.805 . . . . 0.0 109.713 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.18 -28.7 42.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.821 -0.549 . . . . 0.0 110.761 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -58.89 -41.77 87.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.547 -1.346 . . . . 0.0 108.304 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.715 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.15 69.77 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.239 -0.913 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.99 -57.78 9.19 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.993 0.901 . . . . 0.0 109.915 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.49 ' CG2' ' CD1' ' A' ' 87' ' ' PHE . 63.1 mt -57.91 -39.11 69.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.087 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -69.58 -36.38 76.22 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.018 -1.051 . . . . 0.0 110.746 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.38 -35.03 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.41 -1.432 . . . . 0.0 109.448 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -60.16 -33.71 72.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.721 -1.237 . . . . 0.0 108.135 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.73 -30.46 61.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.0 109.694 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -54.86 -45.32 74.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.54 -0.725 . . . . 0.0 109.926 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.41 -42.99 70.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.031 -1.043 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -96.98 61.11 1.77 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.07 -8.96 11.07 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.45 -31.95 73.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.511 -0.993 . . . . 0.0 109.341 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' B' ' 23' ' ' ASP . 88.8 mt-10 -148.82 -45.13 0.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.544 -1.347 . . . . 0.0 110.111 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.27 12.27 0.29 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.1 t0 -47.9 -59.49 3.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -1.182 . . . . 0.0 108.613 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -90.15 177.66 6.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 9.2 p80 -122.84 47.2 2.0 Allowed 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -134.55 147.58 50.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 110.034 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 tp -122.21 142.4 50.47 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.86 154.76 19.26 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.936 -1.103 . . . . 0.0 109.584 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -59.57 -40.13 86.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.094 -1.004 . . . . 0.0 109.938 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.0 p -57.08 -39.85 75.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.895 . . . . 0.0 111.046 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -82.01 -33.84 29.87 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.779 -1.201 . . . . 0.0 108.866 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 32' ' ' LEU . 4.0 tt -59.9 -46.5 89.15 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.76 -56.64 14.2 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.366 -1.459 . . . . 0.0 108.912 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.63 -36.03 14.96 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.207 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.406 HD11 ' OE2' ' B' ' 39' ' ' GLU . 16.9 tp -65.97 -39.96 90.84 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.952 -1.093 . . . . 0.0 109.602 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.81 -40.3 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.795 -1.191 . . . . 0.0 109.569 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.73 -25.32 66.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.505 -0.747 . . . . 0.0 112.278 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.65 -17.91 12.02 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.958 -1.089 . . . . 0.0 111.734 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.406 ' OE2' HD11 ' B' ' 35' ' ' LEU . 59.6 mt-10 -97.83 -22.53 16.32 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.732 -1.23 . . . . 0.0 110.978 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.78 29.14 7.72 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.132 -0.98 . . . . 0.0 109.534 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.94 -26.64 61.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.476 -0.765 . . . . 0.0 110.169 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -74.01 -52.07 13.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.933 -1.104 . . . . 0.0 110.138 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -64.0 -23.26 67.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.513 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.525 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.73 -30.97 6.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.266 -0.896 . . . . 0.0 109.062 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.77 -39.24 66.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.134 -0.979 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.29 58.21 4.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.411 -0.805 . . . . 0.0 109.646 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm -121.7 149.22 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.79 -50.66 0.49 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.347 -0.846 . . . . 0.0 109.022 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 51' ' ' GLU . 17.3 mt-10 -74.13 62.26 0.9 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 108.67 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.98 -24.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.429 -0.794 . . . . 0.0 110.33 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 49' ' ' GLU . 22.8 mt-10 -73.77 -22.63 59.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.117 -0.989 . . . . 0.0 110.078 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.11 -50.25 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.705 -1.247 . . . . 0.0 107.904 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.53 -33.7 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.907 -1.121 . . . . 0.0 109.125 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -60.01 -44.56 94.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.58 -26.03 64.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.77 -56.55 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.847 -1.158 . . . . 0.0 108.106 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.38 16.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.53 -34.48 21.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.802 -1.186 . . . . 0.0 109.505 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -67.76 -46.96 70.57 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.709 -1.244 . . . . 0.0 108.27 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.412 ' N ' HD12 ' B' ' 60' ' ' LEU . 9.3 mp -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.602 -1.311 . . . . 0.0 108.257 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.21 -24.12 6.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -0.979 . . . . 0.0 109.314 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -101.41 41.44 1.2 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 122.403 1.097 . . . . 0.0 109.348 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.57 ' C ' ' H ' ' B' ' 65' ' ' ASP . 25.5 t70 -43.95 -34.67 1.75 Allowed 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.79 -12.66 0.01 OUTLIER Glycine 0 N--CA 1.495 2.569 0 O-C-N 121.976 -0.453 . . . . 0.0 112.659 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.2 p30 -104.46 -31.24 9.57 Favored 'General case' 0 N--CA 1.513 2.688 0 CA-C-N 119.523 1.661 . . . . 0.0 111.936 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.52 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 105.39 -25.61 24.2 Favored Glycine 0 N--CA 1.499 2.89 0 O-C-N 119.878 -1.764 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.38 129.41 15.45 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.055 -1.262 . . . . 0.0 109.767 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 49.6 m -101.65 125.06 48.24 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.97 -1.081 . . . . 0.0 109.185 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 30.7 t70 -83.25 -174.72 5.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.197 -0.939 . . . . 0.0 109.887 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.465 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.5 t80 -74.84 -33.83 62.21 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -0.854 . . . . 0.0 108.847 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.27 -37.67 81.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.932 -1.105 . . . . 0.0 109.07 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.6 -25.82 61.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.971 . . . . 0.0 109.944 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.9 t80 -74.85 -41.54 59.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.857 . . . . 0.0 109.837 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -64.49 -48.5 74.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.105 -1.622 . . . . 0.0 108.036 179.249 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.97 63.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.394 -1.441 . . . . 0.0 111.007 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.408 ' CG ' HD11 ' B' ' 60' ' ' LEU . 25.7 m-85 -70.18 -32.09 69.86 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.347 -1.471 . . . . 0.0 109.72 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 54.8 t -65.14 -34.28 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.193 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.1 p -71.25 -53.96 12.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.088 -1.008 . . . . 0.0 109.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.419 ' N ' ' OG ' ' B' ' 78' ' ' SER . 9.7 mtt -50.48 -39.47 48.34 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.203 -0.936 . . . . 0.0 110.673 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.13 -49.58 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.069 -1.019 . . . . 0.0 109.759 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.435 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 33.7 m -62.39 -41.53 98.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.163 -0.96 . . . . 0.0 108.897 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -67.74 -20.99 65.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 109.403 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.15 63.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.142 -0.974 . . . . 0.0 109.176 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.0 p -71.51 152.82 42.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.832 . . . . 0.0 109.475 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' B' ' 85' ' ' HIS . 5.7 m80 -43.6 156.81 0.05 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.458 -0.776 . . . . 0.0 110.1 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.547 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 1.0 OUTLIER -50.32 103.05 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 109.139 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' B' ' 88' ' ' PHE . 42.2 p90 -61.03 -23.65 65.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 110.033 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CE1' ' CZ ' ' B' ' 87' ' ' PHE . 56.8 m-85 -51.08 -40.57 58.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.939 -1.1 . . . . 0.0 109.346 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' B' ' 89' ' ' GLU . 16.9 mp0 -100.38 57.4 0.94 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.431 -0.793 . . . . 0.0 109.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.446 ' C ' ' ND1' ' B' ' 90' ' ' HIS . 0.9 OUTLIER -59.97 90.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.286 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.472 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 169.75 6.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 6.1 mp0 -57.48 -35.46 70.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.112 -0.992 . . . . 0.0 109.423 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.2 tt -60.45 -52.29 65.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.745 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' OE1' ' CG ' ' B' ' 42' ' ' HIS . 28.8 mt-10 -49.89 -45.61 50.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.086 -1.009 . . . . 0.0 109.634 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -48.67 -44.39 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.729 0.776 . . . . 0.0 109.686 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.23 -28.74 47.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.734 -0.604 . . . . 0.0 110.837 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -61.57 -46.72 88.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.598 -1.314 . . . . 0.0 108.534 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.14 -35.06 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 110.217 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.72 76.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.01 -1.056 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.29 16.53 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.949 0.881 . . . . 0.0 109.642 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 92.5 mt -56.07 -38.72 54.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.663 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -70.13 -36.58 74.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.711 -1.243 . . . . 0.0 110.928 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.0 t -70.11 -35.52 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.297 -1.502 . . . . 0.0 109.208 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.81 -31.67 71.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.6 -1.313 . . . . 0.0 107.708 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 11' ' ' ILE . 21.6 m170 -72.83 -36.02 67.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.605 -0.685 . . . . 0.0 109.959 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.404 -0.81 . . . . 0.0 110.34 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.77 -43.61 62.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.881 -1.137 . . . . 0.0 109.253 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.88 60.99 1.52 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.235 -0.916 . . . . 0.0 110.132 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -7.84 11.31 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 107.448 -2.261 . . . . 0.0 107.448 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.44 -33.62 76.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.613 -0.933 . . . . 0.0 109.01 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.3 mt-10 -147.65 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.622 -1.298 . . . . 0.0 110.177 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.88 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 31.0 t70 -49.92 -58.53 5.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -1.233 . . . . 0.0 108.26 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.9 169.6 11.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -118.04 47.82 1.51 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -132.51 146.41 51.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.781 -0.574 . . . . 0.0 110.095 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -123.45 143.07 50.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -91.89 155.01 18.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.873 -1.142 . . . . 0.0 109.824 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -58.64 -39.98 82.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 109.961 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -57.74 -39.86 78.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.407 -0.808 . . . . 0.0 111.344 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -81.19 -39.05 26.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.826 -1.171 . . . . 0.0 109.03 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 32' ' ' LEU . 3.9 tt -56.0 -46.1 78.83 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.61 20.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.406 -1.434 . . . . 0.0 109.098 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.92 -35.2 10.22 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.713 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.09 -41.58 81.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.799 -1.188 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -56.04 -35.47 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.636 -1.29 . . . . 0.0 109.458 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.38 -45.75 82.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.438 -0.789 . . . . 0.0 111.568 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.79 -16.86 22.64 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.943 -1.098 . . . . 0.0 111.357 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 40' ' ' LEU . 65.9 mm-40 -96.86 -28.12 14.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.802 -1.186 . . . . 0.0 110.836 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 39' ' ' GLU . 6.8 mp -118.74 32.88 5.9 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.17 -40.46 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CG ' ' OE1' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -68.91 -50.63 47.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.01 -1.056 . . . . 0.0 109.994 -179.503 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.69 -30.13 63.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.192 -0.943 . . . . 0.0 109.449 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.19 -22.38 0.99 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.435 -0.791 . . . . 0.0 109.839 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.92 -41.38 23.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 110.054 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.59 58.39 3.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 0.0 109.983 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 48' ' ' LYS . 44.8 mm -119.42 157.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.527 -0.733 . . . . 0.0 109.029 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' N ' HG22 ' A' ' 47' ' ' ILE . 4.1 ttmp? -145.56 -51.59 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.138 -0.976 . . . . 0.0 108.986 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.31 65.98 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.22 -0.925 . . . . 0.0 108.684 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.84 -22.8 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.863 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -73.44 -22.13 60.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.865 -1.147 . . . . 0.0 110.197 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.43 -51.11 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.288 . . . . 0.0 107.798 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.49 -32.73 56.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.972 -1.08 . . . . 0.0 108.73 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.86 -47.29 87.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.414 -0.804 . . . . 0.0 109.843 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.81 -27.16 68.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.146 -0.971 . . . . 0.0 109.862 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.07 -55.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.704 -1.248 . . . . 0.0 108.153 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.67 -28.27 32.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 0.0 110.533 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.16 -34.24 20.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.772 -1.205 . . . . 0.0 109.508 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.86 -43.58 75.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.779 -1.201 . . . . 0.0 108.228 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.72 -57.37 12.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.73 -1.231 . . . . 0.0 108.317 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.61 -22.07 1.85 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.0 109.076 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.44 40.32 1.37 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 122.145 0.974 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 19.1 t70 -44.65 -37.68 3.82 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-O 121.6 0.714 . . . . 0.0 109.889 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.05 -7.15 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.536 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 43.6 m-20 -109.11 -8.99 15.07 Favored 'General case' 0 N--CA 1.512 2.656 0 CA-C-N 119.13 1.465 . . . . 0.0 112.476 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 79.33 -29.07 2.25 Favored Glycine 0 N--CA 1.493 2.485 0 O-C-N 119.622 -1.924 . . . . 0.0 110.691 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -145.8 130.01 17.58 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.02 -1.283 . . . . 0.0 110.048 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 74.5 m -103.53 125.0 49.82 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.188 -0.945 . . . . 0.0 108.809 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -81.28 -175.18 5.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 109.971 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.06 -35.07 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -55.01 -35.95 64.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.997 -1.064 . . . . 0.0 108.471 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.53 -24.48 61.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.68 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 77' ' ' VAL . 72.9 t80 -75.26 -41.84 56.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.99 -53.96 26.36 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.245 -1.535 . . . . 0.0 108.404 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.75 -46.94 67.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.368 -1.458 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.45 -33.86 76.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.565 -1.335 . . . . 0.0 109.447 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' PHE . 22.6 t -66.02 -33.24 62.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 t -71.17 -54.39 11.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 0.0 110.148 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 71.0 mtp -50.21 -39.4 44.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 110.876 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.62 -55.84 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.994 -1.066 . . . . 0.0 109.871 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.1 -40.21 73.35 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.921 -1.112 . . . . 0.0 108.594 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 p -73.92 -20.9 60.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 109.562 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.62 -26.31 43.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.066 -1.021 . . . . 0.0 108.953 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.5 t -72.29 150.29 43.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.361 -0.837 . . . . 0.0 109.103 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 78.4 t60 -45.55 167.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.309 -0.87 . . . . 0.0 109.859 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 97.6 mt-10 -47.1 106.59 0.09 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.92 . . . . 0.0 109.592 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.545 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 37.7 p90 -65.58 -23.12 66.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.346 -0.846 . . . . 0.0 109.523 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 60.3 m-85 -50.01 -40.96 46.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 109.173 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -100.52 56.49 0.9 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.608 -0.682 . . . . 0.0 109.231 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -67.2 102.24 1.02 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.421 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p -65.83 169.69 6.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.124 -0.985 . . . . 0.0 109.3 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.596 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 6.1 mp0 -57.43 -35.45 70.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 109.451 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.448 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.2 tt -60.48 -52.24 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 109.759 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.428 ' OE1' ' CG ' ' A' ' 42' ' ' HIS . 28.9 mt-10 -49.94 -45.64 51.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.08 -1.012 . . . . 0.0 109.577 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -48.67 -44.35 37.63 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.736 0.779 . . . . 0.0 109.706 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.26 -28.66 47.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.736 -0.603 . . . . 0.0 110.888 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -61.65 -46.7 88.65 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.551 -1.343 . . . . 0.0 108.479 179.56 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.22 -34.97 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.49 -0.756 . . . . 0.0 110.177 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.78 76.39 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.064 -1.023 . . . . 0.0 109.371 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.25 16.65 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.915 0.864 . . . . 0.0 109.644 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 92.5 mt -56.04 -38.75 54.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.639 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -70.18 -36.59 74.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.756 -1.215 . . . . 0.0 110.87 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.09 -35.5 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.337 -1.477 . . . . 0.0 109.254 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.8 -31.68 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.637 -1.289 . . . . 0.0 107.716 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 11' ' ' ILE . 21.7 m170 -72.82 -36.02 67.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.665 -0.647 . . . . 0.0 109.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.9 70.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.397 -0.814 . . . . 0.0 110.322 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.75 -43.56 62.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.004 -1.06 . . . . 0.0 109.307 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.9 60.94 1.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -0.888 . . . . 0.0 110.129 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.9 -7.77 11.35 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 107.468 -2.253 . . . . 0.0 107.468 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.49 -33.54 75.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.568 -0.96 . . . . 0.0 109.0 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -147.71 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.674 -1.266 . . . . 0.0 110.18 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.9 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' B' ' 21' ' ' GLU . 31.0 t70 -49.96 -58.45 5.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.058 -1.26 . . . . 0.0 108.304 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.95 169.58 11.1 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -118.03 47.88 1.5 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -132.55 146.44 51.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.728 -0.607 . . . . 0.0 110.081 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -123.53 143.1 50.4 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -91.88 155.0 18.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.9 -1.125 . . . . 0.0 109.837 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -58.66 -39.94 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.977 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.1 t -57.79 -39.86 78.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.438 -0.789 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -81.14 -39.03 26.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.757 -1.214 . . . . 0.0 109.082 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 32' ' ' LEU . 3.9 tt -55.97 -46.13 78.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.68 19.96 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.484 -1.385 . . . . 0.0 109.093 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.82 -35.24 9.85 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.714 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.05 -41.6 81.78 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.742 -1.224 . . . . 0.0 109.451 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.17 -35.35 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.675 -1.265 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.46 -45.7 82.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 111.572 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.81 -16.86 22.62 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.877 -1.14 . . . . 0.0 111.369 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.537 ' O ' HD12 ' B' ' 40' ' ' LEU . 65.9 mm-40 -96.86 -28.13 14.37 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.801 -1.187 . . . . 0.0 110.844 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD12 ' O ' ' B' ' 39' ' ' GLU . 6.8 mp -118.74 32.87 5.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.353 -0.842 . . . . 0.0 109.034 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.2 -40.53 71.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 0.0 110.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.413 ' CG ' ' OE1' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.89 -50.61 48.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.912 -1.118 . . . . 0.0 109.973 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.72 -30.1 63.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.141 -0.974 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.477 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.22 -22.36 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.384 -0.823 . . . . 0.0 109.794 -179.256 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.97 -41.27 23.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.999 -1.063 . . . . 0.0 110.106 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.63 58.41 3.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 109.974 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.421 HG22 ' N ' ' B' ' 48' ' ' LYS . 44.8 mm -119.42 157.91 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.495 -0.753 . . . . 0.0 108.98 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.421 ' N ' HG22 ' B' ' 47' ' ' ILE . 4.1 ttmp? -145.56 -51.52 0.25 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.2 -0.938 . . . . 0.0 109.022 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.35 66.0 5.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.899 . . . . 0.0 108.666 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.85 -22.84 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.833 . . . . 0.0 110.823 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.41 -22.13 60.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.914 -1.116 . . . . 0.0 110.184 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.44 -51.09 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.636 -1.29 . . . . 0.0 107.845 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.45 -32.8 56.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.005 -1.059 . . . . 0.0 108.753 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.81 -47.28 87.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.86 -27.2 68.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.04 -55.61 21.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.698 -1.251 . . . . 0.0 108.108 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.58 -28.35 31.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.21 -34.12 20.57 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.771 -1.206 . . . . 0.0 109.539 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.88 -43.59 75.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 108.252 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.82 -57.26 13.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.67 -1.268 . . . . 0.0 108.302 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.68 -21.99 1.85 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.116 -0.99 . . . . 0.0 109.061 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.43 40.35 1.37 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 122.206 1.003 . . . . 0.0 109.489 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.594 ' C ' ' H ' ' B' ' 65' ' ' ASP . 18.7 t70 -44.49 -37.82 3.73 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.4 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.98 -7.31 0.01 OUTLIER Glycine 0 N--CA 1.489 2.222 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.648 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.594 ' H ' ' C ' ' B' ' 63' ' ' ASP . 43.9 m-20 -109.11 -8.92 15.08 Favored 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 119.009 1.405 . . . . 0.0 112.497 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 79.41 -29.21 2.27 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 119.551 -1.968 . . . . 0.0 110.699 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -145.72 129.98 17.63 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.04 -1.271 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.488 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 74.7 m -103.54 125.04 49.84 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.178 -0.951 . . . . 0.0 108.786 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -81.33 -175.12 5.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.116 -0.99 . . . . 0.0 109.933 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.12 -35.06 64.09 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -55.02 -35.95 64.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.994 -1.067 . . . . 0.0 108.478 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.51 -24.43 61.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 109.722 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 77' ' ' VAL . 72.8 t80 -75.24 -41.95 56.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 109.287 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.7 tpt -66.78 -54.05 26.65 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.308 -1.495 . . . . 0.0 108.443 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -46.93 67.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.386 -1.446 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.5 -33.79 75.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.591 -1.318 . . . . 0.0 109.466 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 73' ' ' PHE . 22.5 t -66.1 -33.2 61.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.096 -1.002 . . . . 0.0 108.6 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -71.17 -54.42 11.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.923 . . . . 0.0 110.129 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 71.1 mtp -50.24 -39.39 44.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.908 . . . . 0.0 110.839 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.56 -55.84 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.035 -1.041 . . . . 0.0 109.91 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.08 -40.27 73.35 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.862 -1.149 . . . . 0.0 108.632 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.7 p -73.89 -20.88 60.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 109.592 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.29 43.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 108.996 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' B' ' 85' ' ' HIS . 24.7 t -72.26 150.34 43.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.444 -0.785 . . . . 0.0 109.071 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.491 ' CG ' ' N ' ' B' ' 86' ' ' GLU . 78.4 t60 -45.57 167.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.287 -0.883 . . . . 0.0 109.831 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' B' ' 85' ' ' HIS . 97.6 mt-10 -47.06 106.54 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.537 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 37.9 p90 -65.54 -23.1 66.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.537 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 60.2 m-85 -50.01 -40.95 46.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.084 -1.01 . . . . 0.0 109.215 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -100.47 56.44 0.91 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -67.24 102.25 1.03 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.415 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.9 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p -78.08 171.52 14.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.71 -38.51 81.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.007 -1.058 . . . . 0.0 109.314 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -60.73 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.601 ' OE1' ' CE1' ' B' ' 42' ' ' HIS . 75.4 tt0 -51.1 -47.11 61.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.598 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.7 -44.81 58.14 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.849 0.833 . . . . 0.0 109.844 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.752 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.75 -29.94 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.797 -0.564 . . . . 0.0 111.325 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -46.12 86.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.589 -1.319 . . . . 0.0 108.627 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.53 -34.56 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.464 -0.772 . . . . 0.0 110.241 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -50.26 74.64 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.059 -1.026 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.41 -54.99 28.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.96 0.886 . . . . 0.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.69 -39.45 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.898 -0.501 . . . . 0.0 110.753 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.44 -35.49 70.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.84 -1.163 . . . . 0.0 110.686 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.53 -42.7 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.56 -1.338 . . . . 0.0 109.597 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.09 -33.82 63.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.616 -1.303 . . . . 0.0 108.505 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.53 -29.6 59.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.23 -45.12 75.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 110.035 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -71.63 -47.61 53.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.004 -1.06 . . . . 0.0 109.41 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 m -98.42 61.03 1.39 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.365 -0.834 . . . . 0.0 110.135 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.45 -12.92 5.96 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.46 -30.57 70.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -1.161 . . . . 0.0 109.081 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASP . 41.1 tt0 -148.16 -45.23 0.16 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.675 -1.266 . . . . 0.0 109.635 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.95 24.12 0.25 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.321 . . . . 0.0 108.289 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.69 174.39 7.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 12.1 p80 -120.86 50.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.17 145.04 51.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.802 -0.561 . . . . 0.0 109.65 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' CYS . 15.3 tp -118.8 141.7 48.39 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.53 16.8 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.089 -1.007 . . . . 0.0 109.758 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.26 -39.23 86.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.421 -0.799 . . . . 0.0 110.179 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -59.45 -41.86 90.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.75 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -42.11 33.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 109.099 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 tp -55.61 -42.46 74.9 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.93 -56.96 12.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.895 -1.128 . . . . 0.0 108.792 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -48.3 -35.63 12.65 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.941 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -65.98 -47.95 72.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.0 . . . . 0.0 108.743 179.179 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -52.62 -38.87 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.285 . . . . 0.0 109.481 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -61.87 -26.03 67.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.718 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -121.0 -2.83 9.66 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.411 -0.806 . . . . 0.0 110.493 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' LEU . 21.9 tt0 -98.85 -32.26 11.44 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.96 -1.087 . . . . 0.0 110.82 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.23 34.64 4.81 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.281 -0.887 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -70.57 -24.88 62.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.0 109.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.583 ' CE1' ' OE1' ' B' ' 4' ' ' GLU . 18.9 m80 -74.0 -42.9 59.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 110.244 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.65 -22.39 50.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.967 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -48.26 -27.34 2.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.318 -179.415 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.25 -39.12 41.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 110.205 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.0 59.63 5.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.196 -0.94 . . . . 0.0 110.521 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.76 107.42 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.47 -0.769 . . . . 0.0 108.938 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -83.36 -57.16 3.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.053 -1.03 . . . . 0.0 108.787 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -75.5 113.9 13.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.076 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -88.88 -23.68 22.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.056 -1.028 . . . . 0.0 109.776 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.77 -24.84 58.75 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.267 -0.896 . . . . 0.0 111.324 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 53' ' ' VAL . 28.2 m -74.73 -43.4 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.452 -1.405 . . . . 0.0 108.377 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.497 ' N ' HG23 ' A' ' 52' ' ' VAL . 83.2 t -67.97 -34.08 64.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 120.651 -1.28 . . . . 0.0 108.658 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -57.34 -43.0 83.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.16 -27.09 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.154 -0.966 . . . . 0.0 109.884 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.27 -55.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.539 -1.351 . . . . 0.0 107.677 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -53.0 -28.62 24.83 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.65 -38.84 14.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.059 -1.025 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.09 -39.73 78.84 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.6 tp -69.17 -57.08 5.85 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.784 -1.197 . . . . 0.0 108.026 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -50.94 -18.25 0.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.084 -1.01 . . . . 0.0 109.135 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' LEU . 87.6 mt-10 -100.24 40.99 1.2 Allowed 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.308 1.052 . . . . 0.0 109.067 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.2 p-10 -45.01 -34.04 2.3 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.494 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.46 -6.14 0.01 OUTLIER Glycine 0 N--CA 1.499 2.844 0 O-C-N 121.974 -0.454 . . . . 0.0 112.111 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . 54.0 t0 -104.39 -31.45 9.51 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 119.164 1.482 . . . . 0.0 111.926 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.24 -27.81 18.42 Favored Glycine 0 N--CA 1.499 2.85 0 O-C-N 119.873 -1.767 . . . . 0.0 109.049 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.59 130.6 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.213 -1.169 . . . . 0.0 109.769 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 27' ' ' LEU . 11.4 m -104.0 126.76 51.37 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.171 -0.955 . . . . 0.0 109.45 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 23.8 t70 -81.15 -172.3 3.69 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.919 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.46 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 26.4 t80 -74.3 -28.88 61.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.336 -0.853 . . . . 0.0 108.762 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -63.83 -36.11 82.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.862 -1.149 . . . . 0.0 108.477 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -71.98 -24.91 61.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.914 . . . . 0.0 109.689 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -73.21 -41.82 63.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.87 -51.8 55.71 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.292 -1.505 . . . . 0.0 108.416 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.27 46.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.306 -1.496 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -59.92 -36.89 77.98 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.885 -1.134 . . . . 0.0 109.223 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 73' ' ' PHE . 41.5 t -69.85 -34.0 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 0.0 108.975 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.71 42.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.411 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.62 -36.53 35.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.975 -1.078 . . . . 0.0 110.487 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.84 -47.92 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.774 -1.204 . . . . 0.0 109.409 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.23 -36.87 74.82 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 108.841 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -69.25 -26.63 64.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 109.825 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 85' ' ' HIS . . . -56.71 -37.68 71.28 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' A' ' 85' ' ' HIS . 11.2 m -74.22 41.27 0.13 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.499 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 22.9 t60 -48.67 176.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.581 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.499 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 38.6 tt0 56.92 19.22 4.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.212 -0.93 . . . . 0.0 108.93 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 32.7 p90 -63.34 -24.5 67.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.477 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CE1' ' CE1' ' A' ' 87' ' ' PHE . 13.0 m-85 -49.56 -31.04 9.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.981 . . . . 0.0 108.901 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -91.2 55.28 2.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.453 -0.779 . . . . 0.0 108.969 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -64.69 135.65 56.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -0.858 . . . . 0.0 109.467 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.307 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.421 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 8.9 ptt? . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.217 0.532 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p -78.0 171.49 14.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.153 -0.967 . . . . 0.0 109.166 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.73 -38.42 81.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.051 -1.03 . . . . 0.0 109.313 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.487 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.1 tt -60.83 -49.01 79.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.853 . . . . 0.0 109.027 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.583 ' OE1' ' CE1' ' A' ' 42' ' ' HIS . 75.6 tt0 -51.14 -47.16 62.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.24 -0.912 . . . . 0.0 109.617 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.63 -44.8 57.45 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.813 0.816 . . . . 0.0 109.829 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.752 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.83 -29.86 56.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.838 -0.539 . . . . 0.0 111.344 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -46.12 86.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.623 -1.298 . . . . 0.0 108.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.54 -34.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.534 -0.728 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.19 74.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.085 -1.009 . . . . 0.0 109.61 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 22.4 mt -53.52 -54.96 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.902 0.858 . . . . 0.0 110.543 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.7 -39.43 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.884 -0.51 . . . . 0.0 110.803 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.41 -35.54 71.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.867 -1.146 . . . . 0.0 110.75 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 77.8 t -69.47 -42.76 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.524 -1.36 . . . . 0.0 109.59 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.03 -33.87 63.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.613 -1.304 . . . . 0.0 108.531 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.55 -29.6 59.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 109.683 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -55.15 -45.16 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.084 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -71.7 -47.48 53.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 109.38 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -98.54 61.09 1.36 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.374 -0.829 . . . . 0.0 110.051 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.48 -12.88 5.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.55 -30.49 70.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -1.15 . . . . 0.0 109.055 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 23' ' ' ASP . 40.9 tt0 -148.13 -45.34 0.16 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.648 -1.283 . . . . 0.0 109.649 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 43.06 24.09 0.26 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.934 -1.333 . . . . 0.0 108.306 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.67 174.45 7.73 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -120.83 50.57 1.33 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.15 145.04 51.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.802 -0.561 . . . . 0.0 109.599 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 27' ' ' LEU . 15.3 tp -118.78 141.69 48.4 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.54 16.79 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.076 -1.015 . . . . 0.0 109.764 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.24 -39.27 86.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -59.5 -41.84 90.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.0 110.709 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.05 -42.18 33.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.027 -1.046 . . . . 0.0 109.089 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.57 -42.48 74.79 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.96 -56.95 12.14 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.832 -1.167 . . . . 0.0 108.788 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -48.26 -35.62 12.42 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.977 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.6 OUTLIER -66.01 -47.92 72.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.05 -1.031 . . . . 0.0 108.772 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.7 -38.82 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.649 -1.282 . . . . 0.0 109.503 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -61.87 -26.0 67.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.867 . . . . 0.0 110.744 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -120.97 -2.94 9.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.404 -0.81 . . . . 0.0 110.504 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 35' ' ' LEU . 21.8 tt0 -98.74 -32.22 11.49 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.954 -1.091 . . . . 0.0 110.872 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -126.29 34.65 4.8 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.364 -0.835 . . . . 0.0 109.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -70.58 -24.88 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 109.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.601 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 19.0 m80 -74.03 -42.89 59.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.982 . . . . 0.0 110.201 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.63 -22.41 50.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 110.016 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.32 -27.29 2.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.0 109.321 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.24 -39.2 41.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.138 -0.977 . . . . 0.0 110.161 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.98 59.61 5.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.109 -0.994 . . . . 0.0 110.48 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.75 107.46 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.769 . . . . 0.0 108.953 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -83.42 -57.13 3.38 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.078 -1.014 . . . . 0.0 108.745 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -75.52 113.84 13.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.075 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -88.83 -23.69 22.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.012 -1.055 . . . . 0.0 109.786 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.76 -24.82 58.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.263 -0.898 . . . . 0.0 111.329 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.502 HG23 ' N ' ' B' ' 53' ' ' VAL . 28.3 m -74.75 -43.35 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.393 -1.442 . . . . 0.0 108.358 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.502 ' N ' HG23 ' B' ' 52' ' ' VAL . 82.8 t -68.1 -33.93 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.649 -1.282 . . . . 0.0 108.668 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.41 -43.01 83.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.09 -27.12 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.24 -55.49 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.556 -1.34 . . . . 0.0 107.649 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -52.96 -28.58 24.39 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 0.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.67 -38.87 14.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.101 -0.999 . . . . 0.0 109.246 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.01 -39.77 79.1 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.6 tp -69.14 -57.14 5.79 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.815 -1.178 . . . . 0.0 107.959 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.89 -18.22 0.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.092 -1.005 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' B' ' 60' ' ' LEU . 87.7 mt-10 -100.25 41.03 1.19 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.341 1.067 . . . . 0.0 109.457 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 65' ' ' ASP . 18.2 p-10 -44.84 -34.13 2.21 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.084 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.29 -6.18 0.01 OUTLIER Glycine 0 N--CA 1.492 2.416 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.365 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' B' ' 63' ' ' ASP . 54.1 t0 -104.39 -31.41 9.53 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 120.708 -1.466 . . . . 0.0 111.878 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 -27.83 18.31 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 119.97 -1.706 . . . . 0.0 109.022 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.61 130.6 15.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.187 -1.184 . . . . 0.0 109.718 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 11.5 m -104.02 126.88 51.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.154 -0.967 . . . . 0.0 109.41 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 23.8 t70 -81.27 -172.32 3.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.215 -0.928 . . . . 0.0 109.901 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.471 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 26.3 t80 -74.27 -28.87 61.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 108.806 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -63.82 -36.04 82.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.858 -1.151 . . . . 0.0 108.526 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.04 -24.91 61.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.521 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.0 OUTLIER -73.2 -41.89 63.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -0.849 . . . . 0.0 108.713 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.79 -51.84 55.72 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.285 -1.509 . . . . 0.0 108.487 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.29 46.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.249 -1.532 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.89 -36.96 78.04 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.877 -1.14 . . . . 0.0 109.181 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 73' ' ' PHE . 41.5 t -69.76 -34.13 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.895 . . . . 0.0 108.951 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.72 41.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.58 -36.47 34.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 110.488 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 80.5 t -72.87 -47.96 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.719 -1.238 . . . . 0.0 109.367 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.17 -36.95 75.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.186 -0.947 . . . . 0.0 108.817 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -69.22 -26.65 64.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 109.844 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' B' ' 85' ' ' HIS . . . -56.6 -37.83 71.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' B' ' 85' ' ' HIS . 11.1 m -74.11 41.28 0.13 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.494 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 22.8 t60 -48.72 176.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 109.587 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.494 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 38.7 tt0 56.95 19.24 4.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 108.929 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.627 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 32.7 p90 -63.36 -24.51 67.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 0.0 109.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CE1' ' CE1' ' B' ' 87' ' ' PHE . 12.9 m-85 -49.57 -31.02 9.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.183 -0.948 . . . . 0.0 108.92 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -91.23 55.34 2.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.497 -0.752 . . . . 0.0 108.992 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -64.68 135.61 56.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 109.51 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.337 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.504 ' H3 ' ' CD ' ' A' ' 4' ' ' GLU . 1.4 tmt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 p -76.75 164.01 26.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.094 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.83 -35.78 57.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.15 -0.968 . . . . 0.0 109.51 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.74 -53.27 49.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.256 -0.902 . . . . 0.0 109.991 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' CD ' ' H3 ' ' A' ' 0' ' ' MET . 45.7 mt-10 -54.69 -47.45 73.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.953 -1.092 . . . . 0.0 109.018 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.76 -43.36 58.28 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.711 0.767 . . . . 0.0 109.991 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.665 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.38 -35.87 54.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.75 -0.594 . . . . 0.0 111.614 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.57 -49.28 78.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.068 -1.645 . . . . 0.0 107.797 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -62.15 -35.28 68.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 108.706 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -60.24 -48.55 81.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.003 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.5 mp -44.85 -38.38 4.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 109.079 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 11' ' ' ILE . 2.0 mp -67.14 -38.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . 16.1 t70 -49.72 -54.86 16.35 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.722 0.772 . . . . 0.0 109.404 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.42 -35.92 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.669 -0.644 . . . . 0.0 110.722 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.1 -35.92 82.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.342 -1.474 . . . . 0.0 108.805 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -79.81 -30.48 40.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.478 -0.764 . . . . 0.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.78 -45.64 74.32 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.413 -0.804 . . . . 0.0 109.855 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.19 54.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.039 -1.038 . . . . 0.0 108.997 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -97.92 60.44 1.49 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.452 -0.78 . . . . 0.0 109.824 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.9 -13.83 5.88 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.93 -30.69 71.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.453 -1.028 . . . . 0.0 108.604 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.4 mt-10 -148.44 -44.8 0.15 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.66 -1.275 . . . . 0.0 109.758 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.27 16.35 0.16 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 23.4 t0 -48.55 -58.74 4.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -1.122 . . . . 0.0 108.234 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -89.98 159.75 16.73 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -111.66 46.43 1.12 Allowed 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -132.69 147.62 52.33 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.34 142.09 50.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.82 17.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.949 -1.094 . . . . 0.0 109.984 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.9 -38.83 79.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.882 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.61 -42.56 99.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -0.863 . . . . 0.0 110.905 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -33.85 63.14 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.914 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.88 -42.15 97.55 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.7 -57.36 11.8 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.521 -1.362 . . . . 0.0 108.771 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.57 -38.47 54.55 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.759 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.91 -38.45 86.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.04 -36.81 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.782 -1.199 . . . . 0.0 109.087 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.9 m-20 -63.79 -32.14 73.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.526 -0.734 . . . . 0.0 111.942 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -106.63 5.29 28.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.089 -1.007 . . . . 0.0 111.662 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.4 -27.25 4.12 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.926 -1.109 . . . . 0.0 111.084 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.2 mt -115.68 30.95 7.02 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.163 -0.961 . . . . 0.0 109.529 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 23.8 m -73.63 -26.76 60.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 42' ' ' HIS . 16.6 t-80 -73.4 -50.8 19.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.898 -1.126 . . . . 0.0 110.041 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -65.48 -26.63 68.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -54.25 -23.19 13.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.309 -0.869 . . . . 0.0 109.393 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.3 -41.35 34.09 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.972 -1.08 . . . . 0.0 109.527 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 36.3 mt-10 -87.82 60.78 6.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.94 101.61 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.442 -0.786 . . . . 0.0 109.069 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HZ3' ' CD2' ' A' ' 85' ' ' HIS . 53.0 mttp -84.32 -42.06 16.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.0 108.932 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.22 106.41 18.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 0.0 108.845 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.05 -22.01 29.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.874 -1.141 . . . . 0.0 110.743 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.28 -23.31 60.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.921 -1.112 . . . . 0.0 111.222 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 52' ' ' VAL . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.433 -1.417 . . . . 0.0 108.585 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.99 -34.61 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.582 -1.324 . . . . 0.0 108.696 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.06 -44.53 87.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.369 -0.832 . . . . 0.0 109.685 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.37 -26.31 64.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 109.908 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.73 -57.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.734 -1.229 . . . . 0.0 108.474 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.61 -25.76 11.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.07 -33.69 20.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.988 -1.07 . . . . 0.0 108.948 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -68.12 -47.59 67.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.826 -1.171 . . . . 0.0 108.049 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 76' ' ' PHE . 50.2 mt -59.25 -57.19 14.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 108.372 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -21.66 2.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.061 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -102.94 41.77 1.22 Allowed 'General case' 0 N--CA 1.499 1.982 0 CA-C-O 122.233 1.016 . . . . 0.0 109.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 65' ' ' ASP . 28.2 t0 -43.97 -36.16 2.35 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.672 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.3 -10.77 0.01 OUTLIER Glycine 0 N--CA 1.496 2.698 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.403 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.7 p30 -106.86 -31.51 8.34 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 119.424 1.612 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.66 -25.45 26.65 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 119.916 -1.74 . . . . 0.0 109.496 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -150.14 129.77 13.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.939 -1.33 . . . . 0.0 110.361 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.89 52.49 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.18 -0.95 . . . . 0.0 108.829 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 31.2 t0 -83.31 -173.49 4.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.173 -0.954 . . . . 0.0 110.193 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 30.7 t80 -74.34 -27.03 60.5 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.3 -42.65 92.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.01 -24.9 65.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.22 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 26.5 t80 -76.37 -39.79 52.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.411 -0.806 . . . . 0.0 108.883 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.68 -28.07 65.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.56 -1.337 . . . . 0.0 108.749 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.15 -46.03 21.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.418 -1.426 . . . . 0.0 109.924 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' CG ' HD21 ' A' ' 60' ' ' LEU . 20.2 m-85 -66.65 -32.59 74.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.58 -1.325 . . . . 0.0 109.068 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.569 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 21.7 t -62.77 -35.14 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.269 -0.894 . . . . 0.0 108.867 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -69.65 -51.95 30.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.516 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 51.7 mtp -49.75 -38.72 34.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.57 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.81 -45.27 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.121 -0.987 . . . . 0.0 109.624 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 m -69.58 -41.6 75.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 108.841 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 p -74.05 -22.73 59.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . -57.84 -23.81 54.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.931 -1.106 . . . . 0.0 108.828 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 86' ' ' GLU . 41.4 t -72.45 138.71 47.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 0.0 109.437 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 85' ' ' HIS . 7.5 p80 -46.75 91.02 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 84' ' ' CYS . 44.4 mt-10 49.59 98.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.265 -0.897 . . . . 0.0 109.84 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 24.1 p90 -58.06 -24.08 57.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.253 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 58.2 m-85 -52.24 -40.51 61.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.233 -0.917 . . . . 0.0 108.854 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' GLU . 47.0 mt-10 -81.46 63.2 5.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.517 -0.739 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -67.33 71.11 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 89' ' ' GLU . 50.8 mm-40 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.539 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.516 ' H3 ' ' CD ' ' B' ' 4' ' ' GLU . 1.4 tmt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.1 p -76.69 164.02 26.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 0.0 109.036 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.88 -35.78 58.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.095 -1.003 . . . . 0.0 109.51 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -53.31 49.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 110.058 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.516 ' CD ' ' H3 ' ' B' ' 0' ' ' MET . 45.6 mt-10 -54.71 -47.4 73.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.978 -1.076 . . . . 0.0 109.004 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.79 -43.35 58.61 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.717 0.77 . . . . 0.0 109.976 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.665 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.42 -35.75 53.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.762 -0.586 . . . . 0.0 111.672 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.62 -49.29 78.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.043 -1.661 . . . . 0.0 107.76 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.14 -35.26 67.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 108.731 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -60.26 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 108.974 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.5 mp -44.79 -38.37 4.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.232 -0.918 . . . . 0.0 109.116 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.565 ' N ' HD12 ' B' ' 11' ' ' ILE . 2.0 mp -67.14 -38.79 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 9' ' ' ALA . 16.0 t70 -49.72 -54.85 16.41 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.714 0.769 . . . . 0.0 109.422 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.51 -35.87 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.693 -0.629 . . . . 0.0 110.709 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.339 -1.476 . . . . 0.0 108.831 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -79.8 -30.47 40.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.737 . . . . 0.0 109.721 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.74 -45.7 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.2 54.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.006 -1.059 . . . . 0.0 108.979 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.2 p -97.87 60.41 1.5 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.842 . . . . 0.0 109.878 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.95 -13.75 5.88 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.95 -30.77 71.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.444 -1.033 . . . . 0.0 108.589 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -148.37 -44.78 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.658 -1.276 . . . . 0.0 109.73 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.31 16.24 0.16 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 21' ' ' GLU . 23.4 t0 -48.45 -58.74 4.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -1.175 . . . . 0.0 108.264 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -90.01 159.84 16.66 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -111.68 46.4 1.13 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -132.69 147.65 52.33 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.36 142.12 50.29 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.81 17.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.969 -1.082 . . . . 0.0 110.019 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.579 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -58.94 -38.83 79.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.57 -42.58 99.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.422 -0.798 . . . . 0.0 110.921 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.36 -33.82 63.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.909 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.88 -42.14 97.55 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.8 -57.28 12.19 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.522 -1.362 . . . . 0.0 108.758 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.54 -38.55 54.75 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.772 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.89 -38.43 86.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -0.963 . . . . 0.0 109.295 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.98 -36.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.768 -1.207 . . . . 0.0 109.105 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.9 m-20 -63.76 -32.18 73.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.494 -0.754 . . . . 0.0 111.921 -177.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -106.66 5.39 28.85 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.106 -0.996 . . . . 0.0 111.698 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -123.38 -27.31 4.11 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.95 -1.094 . . . . 0.0 111.073 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 mt -115.7 30.93 7.03 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.123 -0.985 . . . . 0.0 109.487 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 23.3 m -73.67 -26.69 60.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.0 110.124 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.41 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 16.6 t-80 -73.44 -50.82 19.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.911 -1.118 . . . . 0.0 109.978 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.44 -26.63 68.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -0.964 . . . . 0.0 109.716 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -23.25 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.404 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.22 -41.4 34.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.011 -1.056 . . . . 0.0 109.523 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -87.75 60.79 6.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.265 -0.897 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm -119.98 101.53 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.486 -0.759 . . . . 0.0 109.088 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.478 ' HZ3' ' CD2' ' B' ' 85' ' ' HIS . 53.0 mttp -84.25 -42.06 16.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 108.968 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.19 106.41 18.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.205 -0.934 . . . . 0.0 108.819 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.11 -22.0 29.06 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.872 -1.143 . . . . 0.0 110.729 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -73.23 -23.29 60.35 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.899 -1.126 . . . . 0.0 111.217 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.404 -1.435 . . . . 0.0 108.608 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.94 -34.61 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.668 -1.27 . . . . 0.0 108.755 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.08 -44.45 87.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.393 -0.817 . . . . 0.0 109.691 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.41 -26.34 64.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.75 -57.25 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.758 -1.214 . . . . 0.0 108.45 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.47 -25.89 11.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.751 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.07 -33.65 20.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.056 -1.028 . . . . 0.0 108.866 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 m -68.22 -47.48 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.857 -1.152 . . . . 0.0 108.016 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.423 HD21 ' CG ' ' B' ' 76' ' ' PHE . 50.1 mt -59.31 -57.14 14.31 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.645 -1.284 . . . . 0.0 108.385 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.09 -21.6 1.99 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.161 -0.962 . . . . 0.0 109.099 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -102.93 41.86 1.21 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.241 1.02 . . . . 0.0 109.437 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 28.2 t0 -44.02 -36.14 2.38 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.236 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.25 -10.91 0.01 OUTLIER Glycine 0 N--CA 1.494 2.518 0 O-C-N 122.002 -0.436 . . . . 0.0 112.482 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.7 p30 -106.82 -31.47 8.37 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-N 119.374 1.587 . . . . 0.0 112.273 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.73 -25.46 26.56 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 119.92 -1.738 . . . . 0.0 109.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -150.08 129.8 13.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.971 -1.311 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.94 52.54 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.246 -0.909 . . . . 0.0 108.857 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 31.1 t0 -83.33 -173.48 4.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.153 -0.967 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.469 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 30.7 t80 -74.36 -27.01 60.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.37 -42.59 92.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.147 -0.971 . . . . 0.0 108.796 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -24.87 65.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 109.208 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 26.4 t80 -76.4 -39.86 52.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.395 -0.816 . . . . 0.0 108.819 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.61 -28.1 65.65 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.493 -1.379 . . . . 0.0 108.803 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.14 -45.99 21.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.423 -1.423 . . . . 0.0 109.953 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.423 ' CG ' HD21 ' B' ' 60' ' ' LEU . 20.0 m-85 -66.74 -32.53 73.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.541 -1.349 . . . . 0.0 109.04 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.564 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 21.7 t -62.77 -35.17 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 108.857 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.66 -52.01 29.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.149 -0.97 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 51.5 mtp -49.7 -38.7 34.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.293 -0.879 . . . . 0.0 110.568 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.85 -45.24 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.012 -1.055 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.7 m -69.51 -41.64 75.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.955 -1.091 . . . . 0.0 108.873 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 p -74.08 -22.74 59.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . -57.83 -23.79 54.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.991 -1.068 . . . . 0.0 108.846 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' B' ' 86' ' ' GLU . 41.2 t -72.55 138.72 47.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.448 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.505 ' O ' ' CG ' ' B' ' 85' ' ' HIS . 7.6 p80 -46.71 91.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.392 -0.817 . . . . 0.0 109.987 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 84' ' ' CYS . 44.5 mt-10 49.5 98.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.522 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 24.1 p90 -58.03 -24.04 56.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 109.218 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.522 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 58.3 m-85 -52.28 -40.51 61.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.127 -0.983 . . . . 0.0 108.882 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 91' ' ' GLU . 46.9 mt-10 -81.45 63.15 5.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.487 -0.758 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -67.29 71.07 0.11 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 89' ' ' GLU . 50.8 mm-40 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.554 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -79.86 172.67 13.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.253 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.07 70.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -60.45 -49.15 78.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.438 -0.788 . . . . 0.0 109.548 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.41 -47.54 62.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.973 -1.08 . . . . 0.0 109.289 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.52 -44.98 56.42 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.878 0.847 . . . . 0.0 109.516 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.73 -36.88 59.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.881 -0.512 . . . . 0.0 111.012 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.91 79.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.377 -1.452 . . . . 0.0 107.748 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.04 -36.57 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.192 -0.942 . . . . 0.0 108.615 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.87 -47.37 85.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -45.73 -43.6 13.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.091 -1.006 . . . . 0.0 109.224 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.7 mp -64.64 -39.78 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 29.7 t0 -51.32 -54.07 29.83 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.545 0.688 . . . . 0.0 109.995 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.44 -45.4 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.553 -0.717 . . . . 0.0 110.725 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.32 -33.65 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.616 -1.302 . . . . 0.0 108.949 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.0 -30.88 31.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.512 -0.743 . . . . 0.0 110.078 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -53.63 -44.79 69.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 0.0 109.657 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.66 -46.86 44.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.147 -0.971 . . . . 0.0 108.814 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -99.54 57.51 1.03 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -0.794 . . . . 0.0 109.92 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.33 -13.73 6.21 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 107.794 -2.123 . . . . 0.0 107.794 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -64.02 -29.24 70.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.465 -1.021 . . . . 0.0 108.809 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 38.2 mt-10 -147.48 -46.1 0.17 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.675 -1.266 . . . . 0.0 109.944 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.75 14.84 0.13 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.7 t0 -47.98 -53.49 15.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -1.186 . . . . 0.0 108.654 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -89.59 -179.62 5.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -131.69 43.96 2.98 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.54 150.92 49.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.691 -0.631 . . . . 0.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' CYS . 18.0 tp -121.14 143.35 49.15 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -93.04 154.89 17.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.881 -1.137 . . . . 0.0 109.755 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.53 -40.97 84.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.231 -0.918 . . . . 0.0 109.908 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.2 m -58.62 -40.04 82.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.369 -0.832 . . . . 0.0 111.104 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.62 -35.89 44.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 108.969 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.96 -44.05 94.67 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -53.0 -57.68 9.54 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.56 -1.338 . . . . 0.0 108.523 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -51.48 -38.7 55.15 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.82 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -67.63 -38.23 83.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.206 -0.934 . . . . 0.0 109.602 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.63 -33.52 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.953 -1.092 . . . . 0.0 109.223 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -67.3 -45.73 75.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 112.045 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.53 5.1 47.0 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.862 -1.149 . . . . 0.0 111.686 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.98 -25.42 4.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.941 -1.099 . . . . 0.0 110.475 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.6 29.26 7.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.246 -0.909 . . . . 0.0 109.738 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.1 p -72.18 -53.09 13.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.585 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 41' ' ' SER . 70.4 t60 -54.88 -50.34 68.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -61.35 -29.32 69.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 109.415 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.39 -29.0 3.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.576 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -79.7 -40.39 29.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 81.8 mt-10 -84.26 57.55 4.31 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.13 -0.981 . . . . 0.0 110.656 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.57 126.3 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 4.0 mptp? -93.15 -58.45 2.31 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.444 -0.785 . . . . 0.0 109.304 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.14 108.22 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 0.0 109.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.9 -23.04 31.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.219 -0.925 . . . . 0.0 109.418 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.57 -20.58 61.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 0.0 109.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.15 -47.25 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.89 -32.47 54.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.033 -1.042 . . . . 0.0 109.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.97 90.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.402 -0.811 . . . . 0.0 110.365 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -69.58 -26.18 64.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.211 -0.931 . . . . 0.0 110.11 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -56.55 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.771 -1.206 . . . . 0.0 108.419 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.86 -25.6 12.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.325 -0.859 . . . . 0.0 109.988 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.08 -34.03 19.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.811 -1.18 . . . . 0.0 109.254 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -69.02 -48.32 63.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.865 -1.147 . . . . 0.0 108.076 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 76' ' ' PHE . 11.0 mp -58.44 -56.97 15.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.556 -1.34 . . . . 0.0 107.724 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.36 -23.3 2.27 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.288 -0.882 . . . . 0.0 109.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -102.3 40.21 1.38 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 122.103 0.954 . . . . 0.0 109.401 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.5 t0 -44.49 -35.87 2.69 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 121.617 0.722 . . . . 0.0 109.612 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.53 -8.3 0.01 OUTLIER Glycine 0 N--CA 1.495 2.579 0 C-N-CA 121.224 -0.512 . . . . 0.0 111.947 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.7 t70 -104.81 -31.24 9.4 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 119.348 1.574 . . . . 0.0 111.941 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.35 -26.83 23.14 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 119.887 -1.758 . . . . 0.0 109.387 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -146.9 129.15 15.71 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -1.175 . . . . 0.0 109.574 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' LEU . 4.0 m -102.61 125.76 49.45 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 109.0 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 6.9 p30 -83.62 -173.27 4.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.313 -0.867 . . . . 0.0 110.278 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -75.34 -34.23 61.18 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.78 -38.1 77.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.961 -1.087 . . . . 0.0 108.644 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.1 mm-40 -71.76 -24.47 61.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.455 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 77' ' ' VAL . 56.5 t80 -72.43 -40.36 67.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 5.5 mmt -66.74 -54.24 24.95 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.406 -1.434 . . . . 0.0 108.457 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.55 70.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.384 -1.448 . . . . 0.0 111.209 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 60' ' ' LEU . 15.7 m-85 -69.08 -35.56 76.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.648 -1.282 . . . . 0.0 109.728 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 73' ' ' PHE . 24.2 t -63.75 -32.54 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.82 -52.91 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.896 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.52 -39.93 36.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.48 -47.21 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.007 -1.058 . . . . 0.0 109.316 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -63.44 -41.01 98.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.235 -0.915 . . . . 0.0 108.65 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.4 p -74.34 -20.82 59.96 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.752 . . . . 0.0 109.831 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.0 50.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.968 -1.083 . . . . 0.0 108.43 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 10.2 t -73.54 142.21 46.69 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 1.8 t60 -55.95 -167.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.338 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.609 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 5.1 pt-20 -50.21 91.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 85' ' ' HIS . 2.5 p90 -56.93 -24.04 49.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.236 -0.915 . . . . 0.0 109.064 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -52.04 -40.18 60.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 109.31 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -83.64 67.14 9.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 10.8 t-80 -75.59 125.43 29.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.293 -0.879 . . . . 0.0 109.422 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.464 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' B' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -79.87 172.61 13.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 0.0 109.177 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.01 70.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 109.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.1 tt -60.48 -49.15 78.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.436 -0.79 . . . . 0.0 109.571 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.37 -47.56 62.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.948 -1.095 . . . . 0.0 109.304 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.55 -44.94 56.69 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 109.491 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.76 -36.88 59.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.863 -0.523 . . . . 0.0 111.02 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.89 79.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.445 -1.409 . . . . 0.0 107.769 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -62.0 -36.58 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.222 -0.924 . . . . 0.0 108.619 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -58.93 -47.27 85.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.303 -0.873 . . . . 0.0 109.399 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.3 mp -45.78 -43.62 13.29 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.102 -0.998 . . . . 0.0 109.227 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.62 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.7 mp -64.59 -39.78 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 9' ' ' ALA . 29.9 t0 -51.39 -54.08 30.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.565 0.697 . . . . 0.0 109.991 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.4 -45.43 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.483 -0.761 . . . . 0.0 110.765 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.28 -33.64 59.11 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.575 -1.328 . . . . 0.0 108.987 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -82.08 -30.74 31.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.104 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.7 -44.76 70.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.191 -0.943 . . . . 0.0 109.684 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.64 -46.93 43.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.1 -1.0 . . . . 0.0 108.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.4 p -99.5 57.48 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.527 -0.733 . . . . 0.0 109.959 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.24 -13.78 6.24 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 107.835 -2.106 . . . . 0.0 107.835 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.94 -29.27 70.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.47 -1.018 . . . . 0.0 108.846 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 38.2 mt-10 -147.5 -45.99 0.17 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.695 -1.253 . . . . 0.0 109.98 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.71 14.85 0.13 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.7 t0 -48.03 -53.45 16.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.166 . . . . 0.0 108.654 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.42 ' HB2' ' HZ3' ' B' ' 24' ' ' LYS . 18.9 mtmm -89.57 -179.62 5.84 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 0.8 OUTLIER -131.77 43.99 2.97 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.006 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.6 150.93 49.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.691 -0.63 . . . . 0.0 109.359 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 68' ' ' CYS . 18.0 tp -121.15 143.32 49.17 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -92.99 154.86 17.9 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.873 -1.142 . . . . 0.0 109.775 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.47 -41.02 84.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.201 -0.937 . . . . 0.0 109.948 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.3 m -58.61 -40.04 82.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.821 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.63 -35.93 44.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.927 -1.108 . . . . 0.0 108.952 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.88 -44.07 94.38 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -52.96 -57.72 9.38 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.573 -1.329 . . . . 0.0 108.496 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -51.52 -38.69 55.33 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.384 -0.926 . . . . 0.0 108.812 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.67 -38.23 83.47 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.178 -0.951 . . . . 0.0 109.545 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.62 -33.51 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.871 -1.143 . . . . 0.0 109.266 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.29 -45.76 75.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.257 -0.902 . . . . 0.0 112.019 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.5 5.04 47.2 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.805 -1.184 . . . . 0.0 111.733 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.95 -25.43 4.58 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.996 -1.065 . . . . 0.0 110.494 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.62 29.27 7.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.336 -0.853 . . . . 0.0 109.667 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 4.1 p -72.1 -53.15 13.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.422 ' N ' ' OG ' ' B' ' 41' ' ' SER . 70.3 t60 -54.93 -50.27 69.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.057 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -61.36 -29.38 69.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.364 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -48.39 -28.97 3.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.577 -179.609 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -79.74 -40.4 28.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.053 -1.03 . . . . 0.0 110.381 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.437 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 81.8 mt-10 -84.29 57.58 4.33 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.213 -0.929 . . . . 0.0 110.665 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.52 126.34 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 4.0 mptp? -93.13 -58.51 2.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.763 . . . . 0.0 109.307 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.12 108.26 5.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 0.0 109.758 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.01 -22.94 31.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.72 -20.46 61.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.141 -0.974 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.18 -47.32 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.698 -1.251 . . . . 0.0 107.668 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.82 -32.48 54.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.088 -1.007 . . . . 0.0 109.496 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.99 90.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.781 . . . . 0.0 110.392 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -69.6 -26.14 64.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.076 -1.015 . . . . 0.0 110.139 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.22 -56.59 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 120.728 -1.232 . . . . 0.0 108.424 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.91 -25.57 12.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.4 -0.813 . . . . 0.0 109.976 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.02 -34.13 19.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.873 -1.142 . . . . 0.0 109.27 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.96 -48.35 63.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.865 -1.147 . . . . 0.0 108.069 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' B' ' 76' ' ' PHE . 11.0 mp -58.46 -56.92 15.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.576 -1.328 . . . . 0.0 107.742 177.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.37 -23.31 2.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -102.17 40.18 1.38 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.105 0.955 . . . . 0.0 109.717 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' B' ' 65' ' ' ASP . 29.1 t0 -44.33 -35.97 2.59 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.161 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.4 -8.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.279 0 C-N-CA 121.152 -0.546 . . . . 0.0 112.13 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 63' ' ' ASP . 11.8 t70 -104.74 -31.31 9.4 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 119.237 1.518 . . . . 0.0 111.934 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.45 -26.89 22.91 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 119.898 -1.751 . . . . 0.0 109.403 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -146.92 129.13 15.67 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.182 -1.187 . . . . 0.0 109.615 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' B' ' 27' ' ' LEU . 4.0 m -102.64 125.86 49.52 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.01 -1.056 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -83.72 -173.18 4.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.24 -0.912 . . . . 0.0 110.293 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.42 -34.21 60.99 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.75 -38.14 77.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 108.61 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.77 -24.52 61.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.426 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.56 ' O ' HG23 ' B' ' 77' ' ' VAL . 56.3 t80 -72.47 -40.27 67.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.206 -0.934 . . . . 0.0 108.741 177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 5.5 mmt -66.76 -54.2 25.26 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.399 -1.438 . . . . 0.0 108.478 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.49 70.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.362 -1.461 . . . . 0.0 111.227 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.447 ' CD1' HD11 ' B' ' 60' ' ' LEU . 15.5 m-85 -69.14 -35.6 76.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.685 -1.259 . . . . 0.0 109.685 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 73' ' ' PHE . 24.2 t -63.68 -32.5 57.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.94 -52.84 15.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.0 109.834 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.59 -39.91 36.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.216 -0.928 . . . . 0.0 110.446 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.46 -47.17 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m -63.42 -41.08 98.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.237 -0.914 . . . . 0.0 108.599 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -74.34 -20.81 59.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.552 -0.717 . . . . 0.0 109.832 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.02 -31.03 49.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.105 . . . . 0.0 108.399 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' B' ' 85' ' ' HIS . 10.3 t -73.53 142.15 46.72 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.48 -0.763 . . . . 0.0 108.961 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.608 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 1.8 t60 -55.93 -167.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 5.1 pt-20 -50.21 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 85' ' ' HIS . 2.5 p90 -57.01 -24.0 50.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 0.0 109.017 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -52.07 -40.2 60.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.316 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -83.57 67.18 9.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.427 -0.795 . . . . 0.0 109.204 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.426 ' C ' ' ND1' ' B' ' 90' ' ' HIS . 10.6 t-80 -75.65 125.39 28.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.364 -0.835 . . . . 0.0 109.397 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.465 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.525 ' SD ' ' N ' ' A' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p -87.04 170.28 11.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 0.0 109.244 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.36 -34.09 73.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.138 -0.976 . . . . 0.0 109.386 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.7 tt -59.7 -48.0 83.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.283 -0.886 . . . . 0.0 109.421 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.89 -43.97 49.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.076 -1.015 . . . . 0.0 109.339 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.51 -42.29 54.7 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.863 0.84 . . . . 0.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.34 -29.5 57.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.792 -0.567 . . . . 0.0 111.175 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -47.06 76.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.498 -1.376 . . . . 0.0 108.038 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.48 -37.23 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.231 -0.918 . . . . 0.0 109.511 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -47.98 80.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.125 -0.984 . . . . 0.0 108.826 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -47.68 -48.46 29.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 109.093 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.21 -43.55 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.1 -50.82 47.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.581 0.705 . . . . 0.0 110.175 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.54 -46.24 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.312 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.97 -35.25 64.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.26 -1.525 . . . . 0.0 109.033 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -77.62 -31.63 52.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 0.0 110.045 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.36 74.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.911 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -71.31 -45.37 63.2 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.997 -1.064 . . . . 0.0 109.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -99.96 60.91 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.07 -13.87 6.28 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.52 -31.67 72.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -1.026 . . . . 0.0 108.86 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 53.3 mm-40 -145.04 -44.99 0.23 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.682 -1.261 . . . . 0.0 109.741 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.85 15.11 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.1 t70 -47.69 -61.43 1.94 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -1.177 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -89.79 177.97 6.37 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 30.3 p-80 -124.69 46.49 2.31 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.18 148.59 52.03 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.812 -0.555 . . . . 0.0 109.646 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 tp -124.48 140.94 52.48 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -94.31 150.58 20.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.079 -1.013 . . . . 0.0 109.997 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.05 82.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.827 . . . . 0.0 110.573 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.38 -42.29 86.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.14 -33.56 33.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.083 -1.01 . . . . 0.0 108.454 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.11 -46.01 90.94 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.42 14.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 108.806 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.56 -34.94 8.32 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.455 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.36 -41.04 81.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.928 -1.107 . . . . 0.0 109.3 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.49 -44.2 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.749 -1.219 . . . . 0.0 109.802 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 37' ' ' ASN . 1.2 m-20 -58.72 -52.18 66.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -0.881 . . . . 0.0 111.125 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -88.0 1.96 52.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.232 -0.918 . . . . 0.0 111.242 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.76 -30.08 9.65 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.972 -1.08 . . . . 0.0 110.819 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.6 mt -122.99 25.44 8.56 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.314 -0.866 . . . . 0.0 109.856 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.57 -58.98 5.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.412 -0.805 . . . . 0.0 109.699 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 42' ' ' HIS . 3.7 m80 -62.49 -43.62 98.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -29.29 67.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.56 -48.27 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 0.0 109.884 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.19 -36.91 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 110.111 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.33 58.05 3.91 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.199 -0.938 . . . . 0.0 110.872 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 48' ' ' LYS . 88.5 mt -126.37 158.57 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.292 -0.88 . . . . 0.0 108.874 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 47' ' ' ILE . 56.4 mttp -145.61 -42.74 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.105 -0.997 . . . . 0.0 108.674 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.92 64.24 8.54 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.79 -30.05 1.53 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.416 -0.802 . . . . 0.0 110.954 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.45 -24.26 61.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.102 -0.999 . . . . 0.0 110.346 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.61 -48.81 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.39 -31.55 53.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 108.643 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.9 -47.95 84.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.462 -0.774 . . . . 0.0 109.97 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -66.51 -27.06 67.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.009 . . . . 0.0 109.572 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.14 -56.1 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.693 -1.255 . . . . 0.0 107.895 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.22 -29.85 34.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.493 -0.754 . . . . 0.0 109.768 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -86.98 -37.53 17.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.908 -1.12 . . . . 0.0 109.215 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.8 m -68.01 -43.89 77.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' C ' ' N ' ' A' ' 62' ' ' GLU . 7.7 tp -64.47 -57.14 10.06 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 108.034 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.15 -19.09 0.68 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.168 -0.958 . . . . 0.0 109.023 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 60' ' ' LEU . 8.8 mm-40 -102.42 42.37 1.15 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.283 1.04 . . . . 0.0 109.002 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' A' ' 65' ' ' ASP . 24.2 p-10 -44.18 -34.79 1.96 Allowed 'General case' 0 C--N 1.274 -2.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.661 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -8.8 0.01 OUTLIER Glycine 0 N--CA 1.498 2.803 0 O-C-N 122.041 -0.412 . . . . 0.0 112.332 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 63' ' ' ASP . 3.7 p30 -104.71 -31.45 9.35 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 119.386 1.593 . . . . 0.0 111.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 103.2 -27.3 20.63 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 119.949 -1.719 . . . . 0.0 109.369 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.49 130.95 16.69 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.179 -1.189 . . . . 0.0 109.543 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 m -107.9 127.81 54.06 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.128 -0.982 . . . . 0.0 109.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 14.6 t70 -83.79 -172.24 4.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.254 -0.903 . . . . 0.0 109.885 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.439 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 24.1 t80 -73.24 -37.41 66.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.372 -0.83 . . . . 0.0 108.838 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.925 -1.109 . . . . 0.0 108.995 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.91 -24.79 60.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.164 -0.96 . . . . 0.0 109.978 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.7 t80 -76.15 -39.91 53.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.201 -0.937 . . . . 0.0 109.378 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.15 -28.86 65.69 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.44 -1.413 . . . . 0.0 109.318 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.15 -56.58 4.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.258 -1.527 . . . . 0.0 110.775 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.75 -32.6 65.75 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.541 -1.349 . . . . 0.0 109.575 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 73' ' ' PHE . 55.0 t -69.94 -32.86 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -69.14 -48.18 63.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.123 -0.985 . . . . 0.0 110.261 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.3 mtt -54.21 -53.03 59.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.842 -1.161 . . . . 0.0 110.082 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.6 -48.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.286 -0.884 . . . . 0.0 109.567 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -68.1 -40.13 82.68 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.076 -1.015 . . . . 0.0 108.576 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -54.29 -46.09 72.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.915 . . . . 0.0 108.992 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 85' ' ' HIS . 30.3 p -74.47 55.13 0.62 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.514 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 47.8 t-80 -48.5 176.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.394 -0.816 . . . . 0.0 109.971 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.514 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 36.6 tt0 58.19 23.68 10.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 109.46 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 14.9 p90 -65.64 -24.73 67.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.993 -1.067 . . . . 0.0 109.374 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.585 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 27.2 m-85 -51.07 -39.05 55.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.174 -0.954 . . . . 0.0 108.961 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 89' ' ' GLU . 30.5 mp0 -85.43 60.67 6.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.429 -0.794 . . . . 0.0 109.412 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 91' ' ' GLU . 56.4 t-80 -70.92 107.16 3.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.18 -0.95 . . . . 0.0 109.283 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 12.0 pt-20 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.401 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.532 ' SD ' ' N ' ' B' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -87.05 170.27 11.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.163 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.33 -34.09 73.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.39 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.7 tt -59.71 -48.06 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.402 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.9 -43.91 49.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 0.0 109.316 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.58 -42.26 55.46 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.845 0.831 . . . . 0.0 109.761 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.36 -29.49 57.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.783 -0.573 . . . . 0.0 111.2 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -46.98 76.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.512 -1.368 . . . . 0.0 108.13 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.56 -37.17 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.493 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.94 80.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.995 . . . . 0.0 108.847 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -47.74 -48.44 29.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 0.0 109.026 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.33 -43.48 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.08 -50.82 46.81 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.544 0.688 . . . . 0.0 110.167 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.59 -46.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.535 -0.728 . . . . 0.0 111.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -54.95 -35.31 64.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.215 -1.553 . . . . 0.0 108.984 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -77.6 -31.68 53.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.5 -0.75 . . . . 0.0 110.016 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.4 74.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.824 . . . . 0.0 109.937 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -71.21 -45.43 63.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.07 . . . . 0.0 109.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -99.99 60.89 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.359 -0.838 . . . . 0.0 110.167 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.02 -13.88 6.31 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.874 -2.09 . . . . 0.0 107.874 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.55 -31.58 72.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.511 -0.993 . . . . 0.0 108.93 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 53.4 mm-40 -145.04 -45.06 0.23 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.646 -1.284 . . . . 0.0 109.762 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.92 15.03 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 11.1 t70 -47.6 -61.53 1.88 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.24 -1.153 . . . . 0.0 108.599 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -89.73 178.04 6.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 30.4 p-80 -124.73 46.45 2.32 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.1 148.61 51.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.81 -0.556 . . . . 0.0 109.618 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 27' ' ' LEU . 19.3 tp -124.5 140.94 52.47 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -94.29 150.53 20.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.993 -1.067 . . . . 0.0 110.021 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.1 82.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.35 -42.28 86.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.13 -33.56 33.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.022 . . . . 0.0 108.463 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.1 -46.07 90.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.38 14.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.485 -1.384 . . . . 0.0 108.847 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.57 -34.94 8.37 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.448 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.34 -41.09 81.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 109.291 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.55 -44.16 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.799 -1.188 . . . . 0.0 109.749 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m-20 -58.74 -52.24 66.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 111.02 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -87.93 1.96 52.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.238 -0.914 . . . . 0.0 111.282 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.78 -30.07 9.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.963 -1.086 . . . . 0.0 110.837 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 66.5 mt -123.04 25.44 8.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.35 -0.844 . . . . 0.0 109.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -55.58 -59.04 5.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.838 . . . . 0.0 109.656 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' B' ' 42' ' ' HIS . 3.7 m80 -62.45 -43.58 98.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.087 -1.008 . . . . 0.0 109.741 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -29.29 67.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.882 . . . . 0.0 109.09 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.52 -48.31 27.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.517 -0.74 . . . . 0.0 109.889 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.11 -36.95 61.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.95 -1.094 . . . . 0.0 110.146 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.34 58.06 3.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.166 -0.959 . . . . 0.0 110.898 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.473 HG22 ' N ' ' B' ' 48' ' ' LYS . 89.0 mt -126.31 158.57 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.31 -0.868 . . . . 0.0 108.92 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' HG22 ' B' ' 47' ' ' ILE . 56.4 mttp -145.64 -42.82 0.22 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.183 -0.948 . . . . 0.0 108.634 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.88 64.2 8.49 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.71 -30.08 1.48 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 111.005 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.43 -24.26 62.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.991 -1.068 . . . . 0.0 110.313 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.68 -48.72 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.44 -31.51 53.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.065 -1.022 . . . . 0.0 108.637 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.97 -47.92 84.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -66.46 -27.09 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.027 . . . . 0.0 109.601 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.14 -56.11 18.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 120.696 -1.253 . . . . 0.0 107.885 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.25 -29.83 34.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.751 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -86.92 -37.58 17.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.927 -1.108 . . . . 0.0 109.228 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 13.8 m -68.01 -43.9 77.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' B' ' 62' ' ' GLU . 7.8 tp -64.5 -57.16 9.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.794 -1.191 . . . . 0.0 107.999 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.06 -19.05 0.65 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.159 -0.963 . . . . 0.0 109.082 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 60' ' ' LEU . 8.8 mm-40 -102.53 42.49 1.14 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 122.327 1.06 . . . . 0.0 109.188 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 65' ' ' ASP . 24.0 p-10 -44.05 -34.94 1.91 Allowed 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.341 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' B' ' 63' ' ' ASP . . . 51.09 -8.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 C-N-CA 121.44 -0.41 . . . . 0.0 112.526 178.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' B' ' 63' ' ' ASP . 3.6 p30 -104.71 -31.49 9.33 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.288 1.544 . . . . 0.0 111.973 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 103.29 -27.35 20.35 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.919 -1.738 . . . . 0.0 109.333 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.46 130.95 16.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.147 -1.208 . . . . 0.0 109.543 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.87 127.76 54.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 109.483 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 14.6 t70 -83.75 -172.28 4.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.206 -0.934 . . . . 0.0 109.914 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.437 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 24.2 t80 -73.25 -37.38 66.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.384 -0.822 . . . . 0.0 108.812 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.897 -1.127 . . . . 0.0 108.965 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -72.91 -24.82 60.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 109.936 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.499 ' O ' HG23 ' B' ' 77' ' ' VAL . 61.4 t80 -76.19 -39.96 53.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.185 -0.947 . . . . 0.0 109.36 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.09 -28.88 65.77 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.431 -1.418 . . . . 0.0 109.324 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.07 -56.67 4.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.213 -1.554 . . . . 0.0 110.816 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.79 -32.5 65.74 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.548 -1.345 . . . . 0.0 109.625 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 73' ' ' PHE . 55.1 t -69.95 -32.84 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.0 109.642 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -69.23 -48.15 62.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.02 . . . . 0.0 110.238 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.2 mtt -54.13 -53.1 57.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.871 -1.143 . . . . 0.0 110.121 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.67 -48.35 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.474 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -68.04 -40.15 82.92 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.066 -1.021 . . . . 0.0 108.599 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -72.17 -19.62 61.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.426 -0.796 . . . . 0.0 109.252 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -54.29 -46.08 72.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.97 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' B' ' 85' ' ' HIS . 30.4 p -74.45 55.08 0.61 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.312 -0.867 . . . . 0.0 108.78 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 47.8 t-80 -48.5 176.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.472 -0.768 . . . . 0.0 109.965 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.528 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 36.6 tt0 58.09 23.76 10.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.41 -0.806 . . . . 0.0 109.457 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.587 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 15.0 p90 -65.64 -24.73 67.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.082 . . . . 0.0 109.38 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.587 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 27.0 m-85 -51.02 -39.05 54.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.999 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' B' ' 89' ' ' GLU . 30.5 mp0 -85.4 60.57 6.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.479 -0.763 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' B' ' 91' ' ' GLU . 56.4 t-80 -70.85 107.12 3.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.168 -0.957 . . . . 0.0 109.303 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.482 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 12.0 pt-20 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.418 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.0 ptt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p -62.46 167.85 4.0 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.05 -1.031 . . . . 0.0 108.949 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.57 -33.2 67.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.172 -0.955 . . . . 0.0 109.811 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.6 tt -63.68 -43.9 95.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.46 -48.16 66.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.825 -1.172 . . . . 0.0 108.987 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.1 -42.5 50.38 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.721 0.772 . . . . 0.0 110.128 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.597 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.87 -29.82 55.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.631 -0.668 . . . . 0.0 111.133 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.56 -48.21 80.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.418 -1.426 . . . . 0.0 107.955 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.88 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.3 -0.875 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.99 -48.07 81.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 108.363 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mt -46.14 -40.92 11.8 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.259 -0.901 . . . . 0.0 108.977 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.47 -40.94 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.2 t70 -49.86 -52.4 32.95 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.689 0.757 . . . . 0.0 109.865 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.8 t -76.72 -34.18 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.572 -0.705 . . . . 0.0 111.297 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.66 -35.52 81.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.324 -1.485 . . . . 0.0 109.323 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.05 -31.28 39.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 0.0 109.874 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -53.8 -45.19 70.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.392 -0.817 . . . . 0.0 109.542 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -72.86 -48.04 40.95 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.151 -0.968 . . . . 0.0 109.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -98.12 60.45 1.44 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.314 -0.866 . . . . 0.0 109.805 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.27 -11.94 7.15 Favored Glycine 0 N--CA 1.503 3.142 0 N-CA-C 108.119 -1.993 . . . . 0.0 108.119 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -63.7 -30.49 71.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.495 -1.003 . . . . 0.0 109.092 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 39.1 mt-10 -147.91 -44.93 0.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.665 -1.272 . . . . 0.0 110.012 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.48 14.12 0.18 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 46.1 t0 -47.56 -58.97 3.6 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -1.147 . . . . 0.0 108.459 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.97 176.42 7.66 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.12 46.08 2.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -132.57 149.57 52.29 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.264 0.554 . . . . 0.0 109.994 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' CYS . 19.1 tp -126.25 144.54 50.75 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -94.29 157.45 16.04 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.026 -1.046 . . . . 0.0 110.241 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -60.6 -40.09 90.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.336 -0.852 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -58.56 -40.84 84.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.855 . . . . 0.0 111.035 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.72 -41.26 38.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.99 -1.069 . . . . 0.0 108.868 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.3 tt -55.16 -44.33 75.08 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' NZ ' ' CE ' ' A' ' 57' ' ' MET . 59.2 tttp -51.07 -55.96 14.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.404 -1.435 . . . . 0.0 108.972 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.33 -35.4 12.32 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.564 -0.855 . . . . 0.0 109.924 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.74 -43.83 79.01 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.659 -1.276 . . . . 0.0 109.36 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 mt -54.67 -35.76 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.706 -1.246 . . . . 0.0 109.793 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.06 -35.75 80.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.888 . . . . 0.0 111.755 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.62 -19.88 14.64 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.969 -1.082 . . . . 0.0 111.487 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 40' ' ' LEU . 3.4 mp0 -101.03 -26.38 13.73 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.847 -1.158 . . . . 0.0 110.255 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.4 mp -116.11 26.14 10.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.331 -0.855 . . . . 0.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.7 p -67.38 -51.63 49.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.864 . . . . 0.0 109.785 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.403 ' N ' ' OG ' ' A' ' 41' ' ' SER . 76.5 t60 -53.84 -40.54 66.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.126 -0.984 . . . . 0.0 110.019 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.96 -29.71 64.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.002 -1.062 . . . . 0.0 109.635 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -51.34 -25.88 6.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.186 -179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.6 37.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.005 -1.059 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.08 60.36 6.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.026 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -120.39 110.84 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.442 -0.786 . . . . 0.0 109.339 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 12.2 mptt -93.35 -49.65 5.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.197 -0.94 . . . . 0.0 109.147 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' GLU . 20.5 mt-10 -82.58 67.99 8.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.515 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -45.89 -21.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' GLU . 33.7 mt-10 -75.38 -23.35 57.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.247 -0.908 . . . . 0.0 110.073 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.25 -49.35 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.664 -1.272 . . . . 0.0 107.864 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.75 -33.75 63.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.971 -1.081 . . . . 0.0 108.693 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -58.66 -45.88 88.39 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.501 -0.75 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.75 -26.53 65.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.872 . . . . 0.0 109.783 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.02 -56.74 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.776 -1.203 . . . . 0.0 108.297 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.509 ' CE ' ' NZ ' ' A' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.39 39.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.489 -0.757 . . . . 0.0 110.127 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -85.6 -35.32 21.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.986 -1.072 . . . . 0.0 109.224 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.8 m -68.91 -43.88 74.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.678 -1.264 . . . . 0.0 108.123 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.489 HD21 ' CG ' ' A' ' 76' ' ' PHE . 91.2 mt -59.14 -56.91 16.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.613 -1.305 . . . . 0.0 108.028 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.8 -21.16 1.03 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.042 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -102.97 40.63 1.35 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.099 0.952 . . . . 0.0 109.388 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 65' ' ' ASP . 11.8 p-10 -44.54 -35.33 2.48 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-O 121.659 0.742 . . . . 0.0 109.724 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.12 -6.25 0.01 OUTLIER Glycine 0 N--CA 1.495 2.592 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.813 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' A' ' 63' ' ' ASP . 31.4 t70 -106.24 -31.32 8.7 Favored 'General case' 0 N--CA 1.514 2.746 0 CA-C-N 119.188 1.494 . . . . 0.0 112.196 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.2 -26.59 23.75 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 119.816 -1.803 . . . . 0.0 109.308 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.87 130.38 14.85 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.148 -1.207 . . . . 0.0 109.559 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' LEU . 2.7 m -104.09 127.01 51.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.068 -1.02 . . . . 0.0 109.493 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.49 -172.06 3.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 110.282 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -74.94 -25.81 59.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.532 -0.73 . . . . 0.0 109.19 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.42 -36.99 85.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.836 -1.165 . . . . 0.0 108.737 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -70.62 -22.77 62.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.134 -0.979 . . . . 0.0 109.655 179.515 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 77' ' ' VAL . 71.3 t80 -74.73 -41.16 60.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.06 -1.025 . . . . 0.0 109.629 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.4 -52.82 28.73 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.294 -1.504 . . . . 0.0 109.039 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.43 73.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.289 -1.507 . . . . 0.0 111.765 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CG ' HD21 ' A' ' 60' ' ' LEU . 17.2 m-85 -66.03 -34.05 77.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.448 -1.407 . . . . 0.0 109.886 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.7 t -68.29 -33.35 60.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 26.1 p -69.32 -53.39 19.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -0.941 . . . . 0.0 109.523 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.42 -38.39 28.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.034 -1.041 . . . . 0.0 110.129 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.29 -58.3 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.904 -1.122 . . . . 0.0 109.419 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -57.64 -38.97 75.95 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 78' ' ' SER . 6.5 m -74.4 -20.03 60.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.619 -0.676 . . . . 0.0 109.559 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.94 61.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.055 -1.028 . . . . 0.0 108.76 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' HIS . 42.3 t -75.5 56.22 0.86 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.464 -0.772 . . . . 0.0 109.13 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 84' ' ' CYS . 12.6 p-80 -46.43 169.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.235 -0.915 . . . . 0.0 109.646 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 60.14 22.3 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.261 -0.9 . . . . 0.0 109.454 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 12.0 p90 -62.62 -24.99 67.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.972 . . . . 0.0 109.544 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.629 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 4.7 m-85 -51.53 -29.89 18.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.143 -0.973 . . . . 0.0 109.067 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 91' ' ' GLU . 46.7 mt-10 -91.91 59.03 3.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.348 -0.845 . . . . 0.0 109.447 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -70.02 38.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.333 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p -62.45 167.87 3.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.109 -0.994 . . . . 0.0 108.832 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.61 -33.16 67.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.17 -0.956 . . . . 0.0 109.745 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.474 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.7 tt -63.75 -43.84 95.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 109.421 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.44 -48.25 65.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 108.911 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.03 -42.55 49.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.72 0.771 . . . . 0.0 110.142 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.597 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.87 -29.81 55.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.617 -0.677 . . . . 0.0 111.125 -178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.61 -48.18 80.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.43 -1.419 . . . . 0.0 107.934 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.84 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.289 -0.882 . . . . 0.0 109.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.0 -48.08 81.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.005 -1.059 . . . . 0.0 108.403 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.2 mt -46.03 -41.01 11.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 109.044 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.46 -40.93 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 9' ' ' ALA . 10.1 t70 -49.77 -52.44 31.84 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.663 0.744 . . . . 0.0 109.904 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.7 -34.17 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.658 -0.651 . . . . 0.0 111.323 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.68 -35.56 81.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.254 -1.529 . . . . 0.0 109.302 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.03 -31.26 39.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.903 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -53.86 -45.09 70.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.575 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -72.91 -48.01 40.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.154 -0.966 . . . . 0.0 109.029 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 75.7 m -98.19 60.47 1.42 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.365 -0.834 . . . . 0.0 109.827 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 -11.99 7.11 Favored Glycine 0 N--CA 1.502 3.075 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -63.64 -30.45 71.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -1.005 . . . . 0.0 109.096 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 39.2 mt-10 -147.93 -45.02 0.16 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.543 -1.348 . . . . 0.0 110.077 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.51 14.14 0.19 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 46.2 t0 -47.58 -59.02 3.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -1.167 . . . . 0.0 108.439 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.98 176.5 7.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -125.18 46.15 2.42 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -132.61 149.53 52.29 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.263 0.554 . . . . 0.0 110.014 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' B' ' 68' ' ' CYS . 19.2 tp -126.22 144.57 50.72 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -94.3 157.35 16.08 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.99 -1.069 . . . . 0.0 110.252 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -60.54 -40.08 90.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.4 p -58.57 -40.81 84.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 110.998 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.79 -41.2 38.2 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.852 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.552 HD23 ' O ' ' B' ' 32' ' ' LEU . 2.3 tt -55.17 -44.33 75.11 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' NZ ' ' CE ' ' B' ' 57' ' ' MET . 59.2 tttp -51.11 -55.86 15.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.432 -1.418 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.39 -35.41 12.58 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.897 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.72 -43.85 79.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.631 -1.293 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.66 -35.77 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 120.706 -1.246 . . . . 0.0 109.79 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.09 -35.75 80.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.892 . . . . 0.0 111.764 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -102.55 -19.9 14.68 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.005 -1.06 . . . . 0.0 111.496 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.499 ' O ' HD12 ' B' ' 40' ' ' LEU . 3.5 mp0 -100.99 -26.43 13.73 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.804 -1.185 . . . . 0.0 110.319 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.4 mp -116.08 26.17 10.15 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.276 -0.89 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -67.36 -51.61 50.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.848 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.9 -40.48 66.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.012 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -72.06 -29.69 64.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.037 -1.04 . . . . 0.0 109.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -51.32 -25.85 6.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.61 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.067 -1.021 . . . . 0.0 109.981 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -86.1 60.39 6.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.207 -0.933 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.3 mm -120.39 110.83 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.458 -0.776 . . . . 0.0 109.334 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 12.2 mptt -93.38 -49.63 5.84 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.118 -0.989 . . . . 0.0 109.129 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 51' ' ' GLU . 20.5 mt-10 -82.56 67.94 8.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.555 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -45.94 -21.66 0.15 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.235 -0.916 . . . . 0.0 109.824 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 49' ' ' GLU . 33.9 mt-10 -75.42 -23.27 56.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.25 -49.46 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.684 -1.26 . . . . 0.0 107.809 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.74 -33.75 63.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.042 -1.036 . . . . 0.0 108.642 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.66 -45.86 88.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.552 -0.717 . . . . 0.0 109.742 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.79 -26.5 65.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 109.784 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.01 -56.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.767 -1.208 . . . . 0.0 108.25 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.519 ' CE ' ' NZ ' ' B' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.43 39.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.43 -0.794 . . . . 0.0 110.054 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -85.67 -35.23 21.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.016 -1.053 . . . . 0.0 109.223 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -68.98 -43.82 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.671 -1.268 . . . . 0.0 108.144 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.484 HD21 ' CG ' ' B' ' 76' ' ' PHE . 91.3 mt -59.21 -56.82 17.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.669 -1.269 . . . . 0.0 107.979 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.86 -21.1 1.04 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 109.055 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -102.87 40.61 1.35 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.138 0.971 . . . . 0.0 109.783 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' B' ' 65' ' ' ASP . 11.7 p-10 -44.46 -35.37 2.43 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 121.595 0.712 . . . . 0.0 109.257 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.05 -6.5 0.01 OUTLIER Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.0 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' B' ' 63' ' ' ASP . 31.4 t70 -106.13 -31.26 8.78 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.097 1.448 . . . . 0.0 112.264 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.23 -26.63 23.57 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 119.736 -1.852 . . . . 0.0 109.312 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.81 130.44 14.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.173 -1.192 . . . . 0.0 109.489 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' B' ' 27' ' ' LEU . 2.7 m -104.12 127.07 51.68 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.54 -172.1 3.95 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.138 -0.976 . . . . 0.0 110.273 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.87 -25.83 59.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.467 -0.771 . . . . 0.0 109.222 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.44 -36.96 85.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.81 -1.181 . . . . 0.0 108.699 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 0.5 OUTLIER -70.6 -22.84 62.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.644 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.535 ' O ' HG23 ' B' ' 77' ' ' VAL . 71.4 t80 -74.62 -41.34 60.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.057 -1.027 . . . . 0.0 109.615 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.29 -52.86 28.94 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.289 -1.507 . . . . 0.0 109.029 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.209 -1.557 . . . . 0.0 111.755 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.484 ' CG ' HD21 ' B' ' 60' ' ' LEU . 17.4 m-85 -65.99 -34.06 77.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.434 -1.417 . . . . 0.0 109.907 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.8 t -68.25 -33.32 59.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 108.775 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' B' ' 82' ' ' THR . 26.2 p -69.38 -53.31 20.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 109.59 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.41 -38.39 28.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.992 -1.067 . . . . 0.0 110.179 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.33 -58.31 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.942 -1.099 . . . . 0.0 109.365 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -57.68 -38.91 75.96 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 78' ' ' SER . 6.5 m -74.38 -20.09 60.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.613 -0.679 . . . . 0.0 109.557 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.07 -45.91 61.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.969 -1.082 . . . . 0.0 108.83 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' B' ' 85' ' ' HIS . 42.5 t -75.53 56.33 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 109.123 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' B' ' 84' ' ' CYS . 12.5 p-80 -46.46 169.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.863 . . . . 0.0 109.608 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 60.09 22.36 11.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 12.0 p90 -62.57 -24.95 67.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.585 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 4.7 m-85 -51.6 -29.89 19.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 109.087 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 91' ' ' GLU . 46.7 mt-10 -91.85 59.0 3.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.855 . . . . 0.0 109.49 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -70.04 38.69 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' B' ' 89' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.087 -1.008 . . . . 0.0 109.341 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.517 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 2.3 mpt? . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p -90.54 168.62 11.68 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.102 -0.999 . . . . 0.0 109.456 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.83 -37.69 74.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 109.774 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -39.97 92.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.086 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 0' ' ' MET . 73.1 tt0 -56.44 -48.39 77.12 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.284 -0.885 . . . . 0.0 109.218 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 41.3 mmtm -47.97 -42.03 26.63 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.83 0.824 . . . . 0.0 109.364 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.12 -32.07 44.4 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.876 -0.515 . . . . 0.0 111.074 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.38 -40.57 86.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.449 -1.407 . . . . 0.0 108.484 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.98 -35.14 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.92 75.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.845 . . . . 0.0 109.674 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.52 -55.85 16.71 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.992 0.901 . . . . 0.0 109.798 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.412 HG23 ' CE1' ' B' ' 87' ' ' PHE . 87.2 mt -56.17 -37.58 50.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 -178.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.96 -36.4 75.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.809 -1.182 . . . . 0.0 110.477 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.8 t -71.9 -35.64 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.502 -1.374 . . . . 0.0 109.313 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.5 -34.03 76.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 108.19 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.11 -30.12 60.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.26 -43.8 74.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.428 -0.795 . . . . 0.0 110.078 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.93 -46.84 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.46 60.73 1.36 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.297 -0.877 . . . . 0.0 109.974 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.56 -13.54 6.74 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.9 -29.93 71.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.525 -0.985 . . . . 0.0 108.953 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 80.7 mt-10 -148.54 -45.25 0.15 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.667 -1.271 . . . . 0.0 109.967 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.28 12.62 0.19 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 22.1 m-20 -49.13 -53.91 18.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -1.226 . . . . 0.0 108.226 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.47 178.36 5.97 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 26.5 p80 -128.28 47.16 2.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.35 152.2 51.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 109.865 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' CYS . 11.2 tp -126.63 143.42 51.23 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 155.9 16.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.051 -1.031 . . . . 0.0 110.226 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.74 -37.45 81.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.979 179.125 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 t -60.2 -41.84 93.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 110.758 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -79.4 -33.9 42.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.964 -1.085 . . . . 0.0 108.731 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 32' ' ' LEU . 3.5 tt -62.94 -45.94 90.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.34 -56.76 12.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.69 -1.256 . . . . 0.0 108.76 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.02 -35.32 10.83 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.546 -0.862 . . . . 0.0 108.758 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -67.5 -41.98 83.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.117 -0.99 . . . . 0.0 108.505 179.055 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.7 -35.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.687 -1.258 . . . . 0.0 109.362 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.84 -33.52 76.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 0.0 110.89 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.33 -8.39 13.93 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.346 -0.846 . . . . 0.0 110.627 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.8 tp10 -92.38 -31.68 15.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.86 -1.15 . . . . 0.0 110.468 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -126.96 37.33 4.3 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.405 -0.81 . . . . 0.0 109.571 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.66 -28.23 63.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.365 -0.834 . . . . 0.0 110.217 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.49 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.32 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.055 -1.028 . . . . 0.0 109.936 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.81 -20.81 65.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.199 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.93 -45.73 31.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.0 109.522 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.72 -37.21 83.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.95 . . . . 0.0 110.067 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 78.5 mm-40 -88.94 62.37 6.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 110.534 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.57 116.49 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.395 -0.815 . . . . 0.0 109.036 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.29 -57.13 2.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.149 -0.97 . . . . 0.0 109.708 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.77 107.63 13.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -82.29 -21.28 36.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.051 -1.031 . . . . 0.0 110.301 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.99 -23.79 61.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.019 -1.051 . . . . 0.0 110.736 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.43 -48.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.494 -1.379 . . . . 0.0 108.003 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.57 -33.19 60.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 120.931 -1.105 . . . . 0.0 108.774 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.41 -46.72 87.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.922 . . . . 0.0 109.839 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.45 -56.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.601 -1.312 . . . . 0.0 107.657 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.02 -27.47 13.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.294 -0.879 . . . . 0.0 109.359 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.89 -34.52 19.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 108.737 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -67.37 -46.26 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 76' ' ' PHE . 19.9 mt -61.6 -56.72 16.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.638 -1.289 . . . . 0.0 108.371 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.33 -23.63 9.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.577 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.95 40.77 1.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.294 1.045 . . . . 0.0 109.057 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.586 ' C ' ' H ' ' A' ' 65' ' ' ASP . 17.8 p-10 -44.68 -33.84 1.99 Allowed 'General case' 0 C--N 1.274 -2.698 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.64 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.99 -8.6 0.01 OUTLIER Glycine 0 N--CA 1.497 2.735 0 C-N-CA 121.378 -0.439 . . . . 0.0 112.105 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.586 ' H ' ' C ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.37 8.27 Favored 'General case' 0 N--CA 1.512 2.67 0 CA-C-N 119.164 1.482 . . . . 0.0 112.174 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.58 -25.62 25.18 Favored Glycine 0 N--CA 1.502 3.035 0 O-C-N 119.828 -1.795 . . . . 0.0 109.132 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.0 130.71 15.99 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.242 -1.152 . . . . 0.0 109.44 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' LEU . 6.8 m -101.8 125.2 48.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.038 -1.039 . . . . 0.0 109.138 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.17 -175.92 5.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.244 -0.91 . . . . 0.0 109.736 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -75.32 -30.36 60.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 108.863 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -61.99 -37.13 83.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.072 -1.017 . . . . 0.0 108.852 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 33.3 mt-10 -72.68 -24.68 61.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.201 -0.937 . . . . 0.0 109.875 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.7 t80 -74.14 -42.08 60.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.445 -0.784 . . . . 0.0 109.289 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.18 -48.23 79.27 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.289 -1.507 . . . . 0.0 107.769 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.26 -42.79 63.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.319 -1.488 . . . . 0.0 110.719 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 72' ' ' GLU . 43.4 m-85 -69.82 -32.45 70.89 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.389 -1.445 . . . . 0.0 109.52 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.55 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 55.2 t -67.81 -35.4 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.473 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' MET . 14.2 p -70.98 -54.28 11.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.125 -0.984 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.413 ' O ' ' OG1' ' A' ' 82' ' ' THR . 23.8 mtm -53.35 -51.53 62.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.098 -1.002 . . . . 0.0 110.504 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.87 -43.7 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.62 80.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.936 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 79' ' ' MET . 8.6 p -57.06 -51.03 70.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.979 . . . . 0.0 109.583 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -30.41 45.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 109.503 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 39.6 t -77.04 106.89 9.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.204 -0.935 . . . . 0.0 109.269 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' O ' ' O ' ' A' ' 84' ' ' CYS . 14.8 p-80 -61.17 -147.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.558 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 59.23 10.29 1.66 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.119 -0.988 . . . . 0.0 109.072 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CE1' HG23 ' B' ' 11' ' ' ILE . 3.0 t80 -71.15 -59.41 2.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.952 . . . . 0.0 109.426 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -98.71 -42.08 7.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.879 . . . . 0.0 109.08 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -86.72 65.59 9.08 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -74.98 85.44 2.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.21 -0.931 . . . . 0.0 109.146 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.472 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.496 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 2.3 mpt? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p -90.57 168.66 11.64 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.174 -0.954 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.87 -37.72 74.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.11 -39.92 91.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.26 -0.9 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 0' ' ' MET . 73.3 tt0 -56.54 -48.31 77.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.364 -0.835 . . . . 0.0 109.256 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -47.98 -42.02 26.72 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.843 0.83 . . . . 0.0 109.371 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.17 -32.04 44.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.855 -0.528 . . . . 0.0 111.077 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.39 -40.56 86.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.407 -1.433 . . . . 0.0 108.475 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.99 -35.12 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.9 . . . . 0.0 109.328 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.0 75.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.298 -0.876 . . . . 0.0 109.689 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.49 -55.92 16.21 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.014 0.911 . . . . 0.0 109.781 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.407 HG23 ' CE1' ' A' ' 87' ' ' PHE . 87.0 mt -56.05 -37.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.596 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.98 -36.42 75.17 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.784 -1.197 . . . . 0.0 110.47 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.9 t -71.8 -35.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.467 -1.396 . . . . 0.0 109.308 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -62.48 -34.01 76.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.81 -1.181 . . . . 0.0 108.171 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.16 -30.16 60.65 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.488 -0.758 . . . . 0.0 109.489 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.31 -43.75 75.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.469 -0.769 . . . . 0.0 110.039 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.91 -46.87 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.063 -1.023 . . . . 0.0 109.38 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.42 60.66 1.37 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.28 -0.888 . . . . 0.0 110.0 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.53 -13.5 6.78 Favored Glycine 0 N--CA 1.502 3.066 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.93 -29.88 71.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.518 -0.99 . . . . 0.0 109.005 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 80.7 mt-10 -148.55 -45.24 0.15 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.637 -1.29 . . . . 0.0 109.968 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.24 12.64 0.18 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 22.0 m-20 -49.1 -53.9 18.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -1.233 . . . . 0.0 108.268 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.52 178.36 5.96 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 26.5 p80 -128.27 47.21 2.46 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.34 152.15 51.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.65 -0.656 . . . . 0.0 109.877 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 68' ' ' CYS . 11.2 tp -126.54 143.39 51.22 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -95.67 155.91 16.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.047 -1.033 . . . . 0.0 110.11 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.578 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -60.77 -37.4 81.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 110.004 179.126 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.406 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 40.8 t -60.26 -41.8 94.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -79.42 -33.9 42.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.143 . . . . 0.0 108.703 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 32' ' ' LEU . 3.5 tt -62.99 -45.98 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.16 -56.83 12.04 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.678 -1.264 . . . . 0.0 108.784 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.0 -35.35 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.747 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -67.43 -41.99 83.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 108.56 179.016 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.75 -35.51 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.763 -1.21 . . . . 0.0 109.273 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.76 -33.58 76.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 110.954 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.35 -8.3 13.93 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.326 -0.859 . . . . 0.0 110.612 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.8 tp10 -92.41 -31.65 15.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.854 -1.154 . . . . 0.0 110.464 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 mt -126.93 37.35 4.3 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.432 -0.793 . . . . 0.0 109.562 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.68 -28.19 63.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.4 15.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.066 -1.021 . . . . 0.0 109.892 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.79 -20.81 65.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.187 -0.946 . . . . 0.0 109.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.509 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -47.87 -45.78 30.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.463 -0.773 . . . . 0.0 109.509 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.68 -37.29 83.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.045 -1.034 . . . . 0.0 110.03 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.41 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 78.4 mm-40 -88.87 62.32 6.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.235 -0.916 . . . . 0.0 110.559 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.53 116.45 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.393 -0.817 . . . . 0.0 109.058 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.26 -57.11 2.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.17 -0.956 . . . . 0.0 109.74 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.83 107.67 13.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -82.31 -21.27 36.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.023 -1.048 . . . . 0.0 110.311 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.99 -23.8 61.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.058 -1.026 . . . . 0.0 110.784 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 77.4 t -75.4 -48.77 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.48 -1.388 . . . . 0.0 107.989 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.63 -33.19 60.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.845 -1.16 . . . . 0.0 108.722 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.43 -46.76 87.83 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.345 -0.847 . . . . 0.0 109.606 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.825 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.42 -56.28 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.612 -1.305 . . . . 0.0 107.689 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.08 -27.5 14.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.271 -0.893 . . . . 0.0 109.354 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.82 -34.58 19.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.002 -1.061 . . . . 0.0 108.776 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -67.42 -46.21 73.84 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.4 HD21 ' CD2' ' B' ' 76' ' ' PHE . 20.0 mt -61.6 -56.67 17.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.666 -1.271 . . . . 0.0 108.423 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.31 -23.66 9.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.261 -0.9 . . . . 0.0 109.563 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.99 40.93 1.19 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.364 1.078 . . . . 0.0 109.408 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' B' ' 65' ' ' ASP . 17.8 p-10 -44.58 -33.98 1.97 Allowed 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.265 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.9 -8.64 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.206 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.41 8.25 Favored 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 119.084 1.442 . . . . 0.0 112.123 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.73 -25.65 24.93 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 119.896 -1.752 . . . . 0.0 109.101 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -147.97 130.68 15.99 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.161 -1.2 . . . . 0.0 109.423 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' B' ' 27' ' ' LEU . 6.8 m -101.75 125.17 48.36 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.01 -1.056 . . . . 0.0 109.185 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -82.12 -175.93 5.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 109.803 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -75.37 -30.25 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 108.876 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.13 -37.03 83.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.098 -1.001 . . . . 0.0 108.846 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.518 ' O ' ' CD2' ' B' ' 76' ' ' PHE . 33.3 mt-10 -72.65 -24.77 61.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.6 t80 -74.13 -42.0 60.68 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.458 -0.776 . . . . 0.0 109.345 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.21 -48.26 79.07 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.301 -1.499 . . . . 0.0 107.75 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.25 -42.75 63.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.329 -1.482 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' B' ' 72' ' ' GLU . 43.5 m-85 -69.79 -32.58 71.14 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.408 -1.432 . . . . 0.0 109.478 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 55.3 t -67.78 -35.4 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.474 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' B' ' 79' ' ' MET . 14.3 p -70.96 -54.28 11.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.122 -0.986 . . . . 0.0 110.075 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.423 ' O ' ' OG1' ' B' ' 82' ' ' THR . 23.9 mtm -53.35 -51.59 61.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.13 -0.981 . . . . 0.0 110.473 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.81 -43.66 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.0 110.09 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.66 80.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.065 -1.022 . . . . 0.0 109.914 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 79' ' ' MET . 8.7 p -57.04 -51.01 70.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.89 -30.41 45.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 109.52 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' B' ' 85' ' ' HIS . 39.7 t -77.0 106.87 8.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.222 -0.924 . . . . 0.0 109.265 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' B' ' 84' ' ' CYS . 14.9 p-80 -61.19 -147.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.521 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 59.29 10.21 1.67 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.059 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.412 ' CE1' HG23 ' A' ' 11' ' ' ILE . 3.0 t80 -71.14 -59.32 2.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.971 . . . . 0.0 109.479 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -98.71 -42.05 7.41 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.315 -0.866 . . . . 0.0 109.108 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -86.77 65.54 9.05 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -74.94 85.46 2.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.176 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.495 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.542 ' HB2' ' CE1' ' B' ' 42' ' ' HIS . 27.9 ttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.413 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 6.5 p -83.33 164.9 19.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.951 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.83 -32.36 63.52 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.247 -0.908 . . . . 0.0 109.211 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.9 tt -58.24 -53.12 61.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.199 -0.938 . . . . 0.0 109.537 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.5 mp0 -51.34 -47.19 62.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 109.427 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -51.04 -44.56 61.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.819 0.819 . . . . 0.0 109.464 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.797 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.72 -28.62 58.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.79 -0.569 . . . . 0.0 111.051 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.2 tpt -66.18 -50.86 62.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.385 -1.447 . . . . 0.0 108.612 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.51 -35.92 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.33 -0.856 . . . . 0.0 109.194 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.97 -47.63 82.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -45.9 -43.08 13.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.211 -0.931 . . . . 0.0 109.441 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.8 mp -65.05 -39.9 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.6 t70 -51.12 -53.44 34.29 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.664 0.745 . . . . 0.0 109.957 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.6 t -76.88 -44.74 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.564 -0.71 . . . . 0.0 111.289 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.83 -35.3 70.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.29 -1.507 . . . . 0.0 108.871 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -78.53 -30.5 47.05 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 109.732 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.73 -43.78 69.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.329 -0.857 . . . . 0.0 109.528 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.37 49.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.11 -0.994 . . . . 0.0 109.058 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -96.81 61.06 1.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.277 -0.889 . . . . 0.0 110.273 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.77 -15.03 7.01 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.99 -31.09 70.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.534 -0.98 . . . . 0.0 109.311 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' ASP . 37.1 mt-10 -148.8 -44.41 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.624 -1.298 . . . . 0.0 110.34 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.41 12.34 0.18 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.6 t0 -48.96 -55.53 11.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -1.186 . . . . 0.0 108.342 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -178.16 5.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -130.86 47.3 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -133.66 150.11 51.55 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.0 tp -123.65 141.34 52.11 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.7 148.89 23.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.848 -1.158 . . . . 0.0 109.555 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.3 pttm -56.94 -41.44 78.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 5.0 m -57.87 -40.2 79.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -0.806 . . . . 0.0 111.069 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.19 -33.9 43.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.005 -1.06 . . . . 0.0 109.068 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.12 -44.16 97.26 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.47 -57.21 10.62 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.599 -1.313 . . . . 0.0 108.785 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.27 -35.34 11.91 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.376 -0.929 . . . . 0.0 108.948 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -66.42 -49.56 66.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.028 -1.045 . . . . 0.0 108.737 179.083 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.6 mt -52.45 -38.73 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.698 -1.252 . . . . 0.0 109.694 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.28 -27.89 69.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.164 -0.96 . . . . 0.0 110.655 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.14 2.91 11.45 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.458 -0.776 . . . . 0.0 110.512 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 35' ' ' LEU . 30.4 tt0 -104.95 -31.69 9.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.127 -0.983 . . . . 0.0 110.659 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -125.41 38.85 4.09 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.445 -0.785 . . . . 0.0 109.662 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 p -68.45 -29.17 67.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' B' ' 0' ' ' MET . 0.9 OUTLIER -75.08 -51.87 12.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.943 -1.098 . . . . 0.0 109.94 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.21 -20.06 65.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.057 -1.027 . . . . 0.0 109.22 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.32 -50.67 38.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.356 -0.84 . . . . 0.0 109.717 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.97 -29.62 60.52 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.304 -0.872 . . . . 0.0 109.816 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -92.14 61.04 3.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.283 -0.885 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.5 mt -124.64 104.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.343 -0.848 . . . . 0.0 108.79 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.4 -46.58 7.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.101 -0.999 . . . . 0.0 109.423 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -83.75 66.54 9.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.0 109.382 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.02 -23.7 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.309 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 10.9 mp0 -74.23 -25.21 59.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.218 -0.926 . . . . 0.0 110.312 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.0 t -73.8 -49.72 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.11 -31.86 54.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 108.65 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -61.95 -49.49 75.93 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.365 -0.834 . . . . 0.0 109.813 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.39 -26.78 68.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -0.93 . . . . 0.0 109.835 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.16 -55.15 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 120.682 -1.261 . . . . 0.0 108.001 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.72 -26.08 43.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.401 -0.812 . . . . 0.0 110.361 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.11 -39.95 14.16 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.006 -1.059 . . . . 0.0 109.786 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.93 -36.28 77.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.704 -1.247 . . . . 0.0 107.841 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.8 tp -69.11 -58.53 3.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.863 -1.148 . . . . 0.0 108.024 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 52.8 t0 -50.15 -20.12 0.93 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.203 -0.936 . . . . 0.0 109.197 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 69.7 mm-40 -100.02 41.74 1.15 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.323 1.059 . . . . 0.0 108.964 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 65' ' ' ASP . 14.9 p-10 -43.51 -34.62 1.41 Allowed 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.624 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.31 -7.08 0.01 OUTLIER Glycine 0 N--CA 1.496 2.676 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' A' ' 63' ' ' ASP . 35.0 t70 -106.12 -31.4 8.72 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 119.133 1.466 . . . . 0.0 111.952 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 -25.09 25.42 Favored Glycine 0 N--CA 1.504 3.169 0 CA-C-N 121.02 1.737 . . . . 0.0 109.152 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -150.93 131.89 14.24 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.237 -1.155 . . . . 0.0 109.684 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.81 124.09 45.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.121 -0.987 . . . . 0.0 108.548 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -83.1 -172.88 4.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.185 -0.947 . . . . 0.0 109.743 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -74.87 -34.1 62.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 108.822 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.38 -38.62 80.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.991 -1.068 . . . . 0.0 108.731 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -72.6 -23.72 60.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 77' ' ' VAL . 40.4 t80 -74.36 -42.2 59.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.433 -0.792 . . . . 0.0 109.236 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.06 -52.0 58.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.189 -1.569 . . . . 0.0 108.409 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.84 -50.37 66.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.298 -1.502 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.51 -36.82 85.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.753 -1.217 . . . . 0.0 109.529 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.5 t -65.01 -32.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.231 -0.918 . . . . 0.0 109.187 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.1 -51.79 28.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.211 -0.931 . . . . 0.0 110.082 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.1 tpp -50.57 -37.5 40.15 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.147 -0.97 . . . . 0.0 110.768 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.61 -48.79 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.809 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.8 m -61.96 -48.37 80.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.59 -22.64 56.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.349 -0.845 . . . . 0.0 109.663 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.95 76.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.973 . . . . 0.0 109.379 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' GLU . 12.1 m -75.5 92.15 2.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 109.628 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.454 ' C ' ' H ' ' A' ' 87' ' ' PHE . 39.0 m170 -50.68 -11.32 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.422 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' CYS . 39.8 mm-40 -75.17 30.38 0.1 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.675 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 85' ' ' HIS . 10.2 t80 -68.29 -53.59 23.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.181 -0.949 . . . . 0.0 108.886 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE2' ' ND1' ' B' ' 15' ' ' HIS . 3.0 m-30 -96.36 -35.67 11.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 108.77 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' GLU . 8.6 tp10 -90.79 69.63 6.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.447 -0.783 . . . . 0.0 109.502 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -71.9 53.58 0.25 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 0.0 109.176 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' GLU . 8.0 pt-20 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.016 -0.993 . . . . 0.0 109.448 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.528 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 27.9 ttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.402 ' OG ' ' OE1' ' B' ' 4' ' ' GLU . 6.5 p -83.23 164.84 19.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.19 -0.944 . . . . 0.0 109.139 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.82 -32.35 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -0.936 . . . . 0.0 109.165 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.527 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.9 tt -58.23 -53.19 61.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 4' ' ' GLU . 2.5 mp0 -51.25 -47.26 62.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.08 . . . . 0.0 109.428 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' B' ' 5' ' ' LYS . 31.7 mmtp -51.04 -44.55 61.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.791 0.805 . . . . 0.0 109.462 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.797 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.78 -28.53 58.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.822 -0.549 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -66.21 -50.88 62.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.443 -1.41 . . . . 0.0 108.628 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.42 -35.97 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.365 -0.834 . . . . 0.0 109.269 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -57.99 -47.58 82.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.125 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' B' ' 9' ' ' ALA . 83.1 mt -45.97 -42.99 13.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.485 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.662 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.8 mp -65.1 -39.9 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.06 -53.47 33.46 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.639 0.733 . . . . 0.0 110.011 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.87 -44.78 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.637 -0.664 . . . . 0.0 111.214 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.82 -35.35 70.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.244 -1.535 . . . . 0.0 108.861 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.498 ' ND1' ' CE2' ' A' ' 88' ' ' PHE . 40.2 t60 -78.54 -30.41 46.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.373 -0.83 . . . . 0.0 109.779 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.8 -43.73 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.409 -0.807 . . . . 0.0 109.53 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.4 49.63 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.073 -1.017 . . . . 0.0 109.06 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' B' ' 18' ' ' SER . 6.3 t -96.76 60.94 1.83 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.29 -0.881 . . . . 0.0 110.233 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.68 -15.11 7.03 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 107.734 -2.146 . . . . 0.0 107.734 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -60.86 -31.14 70.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.517 -0.99 . . . . 0.0 109.306 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 37.1 mt-10 -148.84 -44.35 0.15 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.639 -1.288 . . . . 0.0 110.413 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.4 12.31 0.18 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 52.6 t0 -49.0 -55.47 11.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.167 -1.196 . . . . 0.0 108.304 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -178.13 5.11 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -130.91 47.2 2.56 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -133.58 150.16 51.63 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 tp -123.62 141.39 52.06 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.77 148.9 22.96 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.843 -1.161 . . . . 0.0 109.551 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.3 pttm -56.95 -41.43 78.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.118 -0.989 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 5.0 m -57.9 -40.17 79.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 111.024 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.22 -33.86 43.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.012 -1.055 . . . . 0.0 109.076 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -62.17 -44.17 97.21 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.48 -57.18 10.71 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.59 -1.318 . . . . 0.0 108.774 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.29 -35.35 12.03 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.958 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -66.36 -49.63 66.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.058 -1.026 . . . . 0.0 108.761 179.028 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -52.39 -38.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.671 -1.268 . . . . 0.0 109.699 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.36 -27.86 69.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.181 -0.949 . . . . 0.0 110.675 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.1 2.81 11.46 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 35' ' ' LEU . 30.4 tt0 -104.89 -31.7 9.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.145 -0.972 . . . . 0.0 110.716 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.42 38.94 4.07 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.6 p -68.51 -29.2 67.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.079 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 0' ' ' MET . 0.9 OUTLIER -75.03 -51.88 12.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.91 -1.118 . . . . 0.0 109.958 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -63.17 -20.07 65.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.084 -1.01 . . . . 0.0 109.234 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.34 -50.61 39.03 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.371 -0.831 . . . . 0.0 109.719 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.01 -29.62 60.64 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.326 -0.859 . . . . 0.0 109.81 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -92.13 61.05 3.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.241 -0.912 . . . . 0.0 110.892 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.8 mt -124.65 104.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.315 -0.865 . . . . 0.0 108.857 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.37 -46.55 7.62 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.103 -0.998 . . . . 0.0 109.422 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.7 66.47 9.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.1 -23.65 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.945 . . . . 0.0 110.25 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 10.9 mp0 -74.24 -25.23 59.52 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.252 -0.905 . . . . 0.0 110.288 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -73.8 -49.74 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.07 -31.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 108.656 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.03 -49.39 76.21 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.488 -0.757 . . . . 0.0 109.815 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.38 -26.81 68.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 109.845 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.17 -55.13 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.651 -1.281 . . . . 0.0 107.968 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.76 -26.08 44.04 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.804 . . . . 0.0 110.328 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.14 -39.91 14.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.015 -1.053 . . . . 0.0 109.821 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -36.28 77.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.768 -1.207 . . . . 0.0 107.898 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -69.1 -58.49 4.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.904 -1.123 . . . . 0.0 108.039 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 52.9 t0 -50.12 -20.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.974 . . . . 0.0 109.163 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -100.07 41.77 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 122.356 1.074 . . . . 0.0 109.226 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.589 ' C ' ' H ' ' B' ' 65' ' ' ASP . 14.9 p-10 -43.41 -34.72 1.35 Allowed 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.207 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -7.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.091 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' B' ' 63' ' ' ASP . 34.9 t70 -106.17 -31.19 8.79 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.79 -1.417 . . . . 0.0 112.03 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.7 -25.22 24.95 Favored Glycine 0 N--CA 1.5 2.956 0 O-C-N 119.902 -1.749 . . . . 0.0 109.135 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -150.86 131.96 14.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -1.172 . . . . 0.0 109.631 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.86 124.05 45.96 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.103 -0.998 . . . . 0.0 108.565 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.05 -172.79 4.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.221 -0.924 . . . . 0.0 109.794 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -75.01 -34.03 61.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 108.774 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.42 -38.63 81.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.974 -1.079 . . . . 0.0 108.675 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.65 -23.64 60.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 109.618 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.562 ' O ' HG23 ' B' ' 77' ' ' VAL . 40.5 t80 -74.35 -42.16 59.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.315 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.08 -51.96 58.39 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.211 -1.555 . . . . 0.0 108.448 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.37 66.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.319 -1.488 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.58 -36.74 84.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.7 -1.25 . . . . 0.0 109.489 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.6 t -65.02 -32.91 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.199 -0.938 . . . . 0.0 109.188 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.11 -51.79 28.77 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.0 tpp -50.5 -37.61 39.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.21 -0.931 . . . . 0.0 110.755 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.56 -48.72 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.876 -1.14 . . . . 0.0 109.858 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -61.95 -48.4 80.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.204 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.58 -22.58 56.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.86 75.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.395 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.474 ' C ' ' N ' ' B' ' 86' ' ' GLU . 12.0 m -75.49 92.11 2.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.307 -0.87 . . . . 0.0 109.634 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 87' ' ' PHE . 38.9 m170 -50.62 -11.31 0.08 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.379 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.474 ' N ' ' C ' ' B' ' 84' ' ' CYS . 39.7 mm-40 -75.22 30.35 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.696 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' B' ' 85' ' ' HIS . 10.1 t80 -68.25 -53.62 23.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.224 -0.923 . . . . 0.0 108.874 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -96.29 -35.75 11.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.208 -0.933 . . . . 0.0 108.77 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' B' ' 91' ' ' GLU . 8.6 tp10 -90.74 69.68 6.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -72.03 53.66 0.26 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.923 . . . . 0.0 109.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 89' ' ' GLU . 8.0 pt-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.458 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.8 p -80.11 167.67 20.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.221 -0.924 . . . . 0.0 109.314 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.47 -33.34 59.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.181 -0.949 . . . . 0.0 109.112 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.5 tt -62.22 -50.6 71.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.767 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.22 -48.7 70.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 109.549 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.47 -41.03 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.748 0.785 . . . . 0.0 109.758 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.14 -29.42 48.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.798 -0.564 . . . . 0.0 111.237 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -48.44 79.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.398 -1.439 . . . . 0.0 107.987 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.03 -36.7 77.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 109.117 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.28 79.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.141 -0.974 . . . . 0.0 108.572 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.51 -41.13 13.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.987 . . . . 0.0 109.328 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.93 -41.79 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.4 m-20 -52.76 -51.09 62.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.6 -0.688 . . . . 0.0 110.368 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.82 -44.98 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.434 -0.791 . . . . 0.0 111.016 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -54.99 -34.24 63.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.384 -1.448 . . . . 0.0 108.731 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.87 -31.17 45.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.558 -0.714 . . . . 0.0 109.977 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -55.55 -45.37 77.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.28 -0.887 . . . . 0.0 110.206 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -71.85 -44.47 63.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.949 -1.095 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -99.68 58.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 110.084 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.42 -9.8 12.5 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -65.73 -37.66 87.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 35.0 mm-40 -143.18 -44.4 0.29 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.84 -1.163 . . . . 0.0 109.628 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.78 12.98 0.15 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 28.8 t70 -48.94 -56.31 9.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.248 . . . . 0.0 108.515 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -90.45 157.65 17.47 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -107.44 45.86 0.97 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.96 51.88 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -125.72 142.38 51.54 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -92.71 156.67 16.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.011 -1.055 . . . . 0.0 109.654 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.64 -40.07 93.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 0.0 110.589 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.27 -41.0 87.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.169 -0.957 . . . . 0.0 111.147 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -77.39 -33.5 55.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.034 . . . . 0.0 109.037 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.11 -43.51 98.25 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.26 -56.82 14.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.497 -1.377 . . . . 0.0 109.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -49.06 -36.82 19.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.168 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 8.9 tp -67.91 -45.25 74.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 109.307 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.14 -34.01 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.88 -1.138 . . . . 0.0 109.618 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -69.67 -30.21 67.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.944 . . . . 0.0 111.874 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -107.56 -0.27 22.18 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.001 -1.062 . . . . 0.0 111.404 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 3.7 mp0 -118.12 -21.99 7.98 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.1 -1.0 . . . . 0.0 110.163 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -120.26 24.49 10.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.339 -0.851 . . . . 0.0 109.412 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.78 -22.83 61.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 109.782 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -70.41 -49.71 46.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 109.725 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.6 -19.05 60.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 109.468 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -49.58 -32.1 11.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.209 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -82.92 -30.67 28.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 110.376 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.16 70.84 7.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.123 -0.986 . . . . 0.0 110.987 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.0 mt -126.82 110.24 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.15 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.82 106.94 18.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.0 pt20 -81.1 -19.07 44.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 111.201 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.72 -23.49 62.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.897 -1.127 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.8 -45.67 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.406 -1.434 . . . . 0.0 108.566 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.26 -34.89 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.69 -1.256 . . . . 0.0 108.964 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 50' ' ' GLN . 61.0 m-20 -57.84 -40.11 79.3 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.279 -0.888 . . . . 0.0 109.951 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -70.84 -27.58 63.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.954 -1.091 . . . . 0.0 109.981 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.56 -55.58 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.616 -1.302 . . . . 0.0 108.0 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.44 -28.91 21.91 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.643 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -88.3 -37.56 15.89 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.0 -1.062 . . . . 0.0 109.236 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -69.17 -39.24 78.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.5 tp -69.73 -57.5 5.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.866 -1.146 . . . . 0.0 108.177 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.88 -18.01 0.24 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.081 -1.012 . . . . 0.0 109.352 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 60' ' ' LEU . 92.4 mt-10 -102.37 42.39 1.15 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.209 1.004 . . . . 0.0 109.364 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.7 t0 -44.09 -38.95 3.91 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.94 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.42 -5.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.599 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.759 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -108.84 -8.76 15.25 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-N 119.181 1.49 . . . . 0.0 112.427 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.35 2.33 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 119.595 -1.941 . . . . 0.0 110.562 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -146.52 130.82 17.54 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.033 -1.275 . . . . 0.0 109.839 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.62 125.45 49.36 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.186 -0.946 . . . . 0.0 108.834 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -84.38 -173.5 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.192 -0.942 . . . . 0.0 110.315 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.72 -28.21 60.7 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.05 -39.13 89.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.898 -1.126 . . . . 0.0 108.671 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.67 -23.14 62.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.0 109.387 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.2 t80 -76.02 -41.7 50.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.5 -0.75 . . . . 0.0 109.346 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.04 -55.8 14.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.083 -1.636 . . . . 0.0 108.496 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.9 -42.83 59.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.344 -1.473 . . . . 0.0 110.728 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.85 -37.89 70.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.742 -1.224 . . . . 0.0 109.994 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 73' ' ' PHE . 25.2 t -60.18 -33.72 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.055 -1.028 . . . . 0.0 108.776 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -70.69 -51.17 29.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 59.6 mtp -49.39 -39.4 32.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.102 -0.998 . . . . 0.0 110.522 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.8 t -73.93 -45.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -71.36 -45.68 62.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 109.385 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -71.26 -21.29 62.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.762 . . . . 0.0 110.368 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . -54.61 -43.67 72.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.002 -1.061 . . . . 0.0 108.746 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 86' ' ' GLU . 27.3 p -88.96 73.72 8.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.154 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -49.12 -11.54 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.926 . . . . 0.0 109.517 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 84' ' ' CYS . 26.1 tt0 -74.38 6.0 4.08 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.235 -0.916 . . . . 0.0 109.509 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -65.52 -27.8 68.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.452 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.84 63.2 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -99.62 80.94 2.42 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -82.77 115.01 21.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.477 179.877 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.9 p -80.17 167.67 20.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.186 -0.946 . . . . 0.0 109.225 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.49 -33.31 59.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.954 . . . . 0.0 109.087 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.464 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.5 tt -62.19 -50.6 71.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.442 -0.786 . . . . 0.0 109.772 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -54.31 -48.6 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 109.503 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.52 -41.05 28.96 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.752 0.787 . . . . 0.0 109.778 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.06 -29.49 49.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.764 -0.585 . . . . 0.0 111.287 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -48.44 79.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.376 -1.453 . . . . 0.0 108.026 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.421 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.8 t -67.05 -36.64 77.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.181 -0.949 . . . . 0.0 109.161 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.186 -0.946 . . . . 0.0 108.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.59 -41.07 13.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 109.333 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.02 -41.74 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 12' ' ' ASP . 2.4 m-20 -52.69 -51.15 61.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.585 -0.697 . . . . 0.0 110.359 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.79 -44.98 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.36 -0.837 . . . . 0.0 110.992 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.99 -34.3 63.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.354 -1.466 . . . . 0.0 108.714 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.79 -31.24 45.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -55.52 -45.31 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 110.224 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -71.86 -44.58 63.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.939 -1.101 . . . . 0.0 109.253 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -99.6 58.73 1.07 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.36 -0.838 . . . . 0.0 110.111 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.38 -9.84 12.5 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 107.574 -2.21 . . . . 0.0 107.574 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -65.71 -37.68 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.71 -0.877 . . . . 0.0 109.188 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 23' ' ' ASP . 35.1 mm-40 -143.11 -44.42 0.29 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.764 -1.21 . . . . 0.0 109.653 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.75 12.97 0.15 Allowed Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' B' ' 21' ' ' GLU . 28.8 t70 -48.95 -56.3 9.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.104 -1.233 . . . . 0.0 108.502 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.4 157.6 17.52 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.4 45.82 0.97 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.97 51.88 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -125.69 142.34 51.56 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -92.69 156.7 16.89 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.031 -1.043 . . . . 0.0 109.648 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.66 -40.08 93.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.166 -0.959 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.32 -40.94 87.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.257 -0.902 . . . . 0.0 111.136 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -77.3 -33.56 55.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.038 . . . . 0.0 109.069 -179.116 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.14 -43.48 98.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.23 -56.85 14.3 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.471 -1.393 . . . . 0.0 109.029 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -49.13 -36.8 20.05 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.14 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 8.9 tp -67.91 -45.21 75.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.073 -1.017 . . . . 0.0 109.298 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.16 -34.04 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.87 -1.144 . . . . 0.0 109.614 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -69.66 -30.21 67.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.166 -0.959 . . . . 0.0 111.874 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -107.52 -0.33 22.2 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.046 -1.034 . . . . 0.0 111.412 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 3.7 mp0 -118.13 -22.01 7.97 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.027 -1.046 . . . . 0.0 110.15 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.23 24.45 10.41 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.326 -0.859 . . . . 0.0 109.466 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -22.99 61.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.754 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -70.34 -49.59 47.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 109.773 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.7 -19.06 60.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.414 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 tp -49.55 -32.14 11.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 0.0 110.242 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -82.85 -30.75 28.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.12 -0.987 . . . . 0.0 110.362 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.14 70.8 7.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.055 -1.028 . . . . 0.0 111.035 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.9 mt -126.78 110.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.377 -0.827 . . . . 0.0 109.347 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.14 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.053 . . . . 0.0 108.227 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.79 106.87 17.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.405 ' O ' ' OD2' ' B' ' 54' ' ' ASP . 10.0 pt20 -81.1 -18.98 44.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.986 -1.071 . . . . 0.0 111.236 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.76 -23.43 62.42 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.849 -1.157 . . . . 0.0 111.336 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.84 -45.62 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.401 -1.437 . . . . 0.0 108.596 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.31 -34.82 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.674 -1.266 . . . . 0.0 108.983 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' B' ' 50' ' ' GLN . 60.9 m-20 -57.86 -40.13 79.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -70.82 -27.6 63.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.938 -1.101 . . . . 0.0 109.938 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.57 -55.63 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.355 . . . . 0.0 107.989 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.35 -28.96 21.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.359 -0.838 . . . . 0.0 109.67 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -88.33 -37.6 15.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.979 -1.076 . . . . 0.0 109.183 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -69.17 -39.23 78.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.4 tp -69.74 -57.49 5.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.947 -1.095 . . . . 0.0 108.178 177.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.83 -18.02 0.24 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.083 -1.01 . . . . 0.0 109.332 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' B' ' 60' ' ' LEU . 92.4 mt-10 -102.42 42.54 1.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.26 1.029 . . . . 0.0 109.629 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' B' ' 65' ' ' ASP . 31.1 t0 -44.01 -39.1 3.89 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.518 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.28 -5.83 0.01 OUTLIER Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.949 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.9 OUTLIER -108.84 -8.64 15.27 Favored 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.078 1.439 . . . . 0.0 112.47 -179.448 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.38 2.33 Favored Glycine 0 N--CA 1.492 2.368 0 O-C-N 119.561 -1.962 . . . . 0.0 110.499 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -146.52 130.79 17.51 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.989 -1.3 . . . . 0.0 109.789 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.69 125.48 49.44 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.19 -0.943 . . . . 0.0 108.838 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.38 -173.51 4.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -0.931 . . . . 0.0 110.258 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.76 -28.23 60.67 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -66.03 -39.13 89.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.849 -1.157 . . . . 0.0 108.694 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -23.16 62.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.546 ' O ' HG23 ' B' ' 77' ' ' VAL . 32.0 t80 -76.07 -41.64 49.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.775 . . . . 0.0 109.327 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mmt -65.98 -55.89 14.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.072 -1.642 . . . . 0.0 108.539 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.75 59.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.313 -1.492 . . . . 0.0 110.752 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.86 -37.87 70.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.779 -1.2 . . . . 0.0 110.009 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 73' ' ' PHE . 25.2 t -60.22 -33.67 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.086 -1.009 . . . . 0.0 108.812 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -70.71 -51.21 28.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 0.0 110.091 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 59.6 mtp -49.33 -39.4 31.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 110.55 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.9 t -73.97 -45.12 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.076 -1.015 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -71.37 -45.79 62.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.347 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 p -71.14 -21.31 62.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.49 -0.757 . . . . 0.0 110.396 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . -54.66 -43.58 72.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.951 -1.093 . . . . 0.0 108.765 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' B' ' 86' ' ' GLU . 27.3 p -89.05 73.72 8.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.348 -0.845 . . . . 0.0 109.156 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -49.12 -11.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.533 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 84' ' ' CYS . 26.2 tt0 -74.43 6.04 4.09 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.238 -0.914 . . . . 0.0 109.453 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -65.42 -27.86 68.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.876 -1.14 . . . . 0.0 109.451 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -34.83 63.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -99.62 80.98 2.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.466 -0.771 . . . . 0.0 108.936 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -82.86 114.96 21.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.185 -0.947 . . . . 0.0 109.488 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.446 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 0' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 p -69.33 168.93 13.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.136 -0.977 . . . . 0.0 109.129 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.45 -34.76 71.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -0.934 . . . . 0.0 109.617 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 3' ' ' LEU . 2.6 tt -61.68 -52.78 62.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 109.811 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.83 -47.59 64.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.098 . . . . 0.0 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.64 -41.96 32.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.664 0.745 . . . . 0.0 109.897 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.808 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.98 -29.46 43.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.702 -0.624 . . . . 0.0 111.097 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.14 -48.59 79.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.353 -1.467 . . . . 0.0 108.214 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.07 -36.26 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.527 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.26 76.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 108.702 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.74 -45.11 19.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.243 -0.911 . . . . 0.0 108.984 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.64 -42.53 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.36 -51.91 31.65 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.588 0.709 . . . . 0.0 109.994 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.61 -45.26 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.577 -0.702 . . . . 0.0 111.253 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.15 -32.61 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.306 -1.496 . . . . 0.0 108.799 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 16.1 t-80 -79.8 -31.34 40.71 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.566 -0.709 . . . . 0.0 109.92 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 19.6 tm0? -54.7 -45.0 73.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.842 . . . . 0.0 109.86 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 15.1 m-85 -71.93 -48.21 47.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.002 -1.061 . . . . 0.0 108.922 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.6 p -98.61 59.98 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.415 -0.803 . . . . 0.0 109.948 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.14 -13.27 7.13 Favored Glycine 0 N--CA 1.501 2.973 0 N-CA-C 107.692 -2.163 . . . . 0.0 107.692 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.32 -30.18 71.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.488 -1.007 . . . . 0.0 109.035 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' ASP . 43.4 mt-10 -147.48 -45.18 0.17 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.693 -1.255 . . . . 0.0 110.037 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.28 13.34 0.12 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.5 t70 -49.08 -57.22 6.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -1.231 . . . . 0.0 108.607 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -89.95 161.17 16.03 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.19 45.86 1.23 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -133.04 149.04 52.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.771 -0.581 . . . . 0.0 109.615 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.2 142.74 50.98 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -92.68 156.66 16.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 109.63 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -61.08 -39.98 91.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 110.435 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -57.8 -40.41 79.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.292 -0.88 . . . . 0.0 111.019 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.94 -33.47 39.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.956 -1.09 . . . . 0.0 108.658 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 32' ' ' LEU . 3.6 tt -60.94 -45.0 96.44 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -52.11 -56.72 12.67 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.265 -1.522 . . . . 0.0 109.034 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.04 -35.67 11.56 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.785 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.54 -39.57 88.63 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.702 -1.249 . . . . 0.0 109.292 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -61.16 -35.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.716 -1.24 . . . . 0.0 109.611 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -66.28 -32.78 74.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 111.68 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -108.88 -18.26 13.73 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.101 -1.0 . . . . 0.0 111.334 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 40' ' ' LEU . 80.1 mm-40 -96.36 -28.12 14.62 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.829 -1.169 . . . . 0.0 110.752 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.4 mp -115.3 29.74 7.82 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.407 -0.808 . . . . 0.0 108.979 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.73 -25.15 61.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 110.205 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.69 -41.11 65.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.114 . . . . 0.0 109.568 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -72.76 -18.52 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.0 109.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.6 tp -46.35 -34.91 4.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.306 -0.871 . . . . 0.0 110.191 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.76 -29.95 29.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.146 -0.971 . . . . 0.0 110.455 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 4.3 mm-40 -92.18 60.37 3.71 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -0.945 . . . . 0.0 111.136 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.56 116.64 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 121.243 -0.911 . . . . 0.0 109.075 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.78 -46.92 5.49 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.224 -0.922 . . . . 0.0 109.322 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.14 64.86 7.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 0.0 109.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.28 -24.76 0.31 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.258 -0.901 . . . . 0.0 110.236 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.17 -22.78 57.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.107 -0.995 . . . . 0.0 110.431 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.53 -48.79 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.66 -1.275 . . . . 0.0 108.093 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.16 -32.09 56.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.85 -1.156 . . . . 0.0 108.723 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.03 -45.01 94.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -0.846 . . . . 0.0 110.065 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.27 -26.41 66.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 0.0 109.964 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.33 -56.42 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 108.6 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.41 24.78 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.319 -0.863 . . . . 0.0 109.919 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.97 -34.68 20.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.921 -1.112 . . . . 0.0 109.568 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.17 -41.88 76.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.675 -1.265 . . . . 0.0 108.201 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.03 -56.95 12.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.681 -1.262 . . . . 0.0 108.362 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -50.49 -21.67 1.6 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.097 -1.002 . . . . 0.0 108.99 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -104.07 41.4 1.3 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.155 0.979 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.9 t0 -44.03 -38.7 3.69 Favored 'General case' 0 C--N 1.274 -2.691 0 CA-C-O 121.596 0.712 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.91 -8.88 0.01 OUTLIER Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.39 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.8 m-20 -107.57 -8.67 16.11 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 118.974 1.387 . . . . 0.0 112.272 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.82 -30.07 2.33 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 119.717 -1.864 . . . . 0.0 110.611 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -147.32 131.6 17.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.952 -1.323 . . . . 0.0 109.88 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.3 m -104.01 126.51 51.18 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.207 -0.933 . . . . 0.0 108.866 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 21.4 t70 -82.49 -173.95 4.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.22 -0.925 . . . . 0.0 110.6 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.468 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.1 t80 -74.66 -27.75 60.56 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.2 -34.63 78.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 109.11 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.93 -23.2 60.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.03 -1.043 . . . . 0.0 110.086 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 77' ' ' VAL . 72.6 t80 -73.34 -39.83 64.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.966 -1.084 . . . . 0.0 109.709 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.7 mmm -69.33 -53.79 17.83 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.127 -1.608 . . . . 0.0 109.519 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -52.59 62.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.229 -1.544 . . . . 0.0 111.168 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.75 -34.27 76.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.672 -1.267 . . . . 0.0 109.363 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 73' ' ' PHE . 14.3 t -66.33 -33.07 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.892 . . . . 0.0 109.093 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.84 -50.56 41.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.063 -1.023 . . . . 0.0 110.033 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.2 mtp -50.68 -38.26 45.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.134 -0.979 . . . . 0.0 110.703 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.7 -47.61 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.979 -1.076 . . . . 0.0 109.876 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 p -67.81 -39.66 83.92 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.143 -0.973 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -71.09 -22.4 62.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.62 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.09 72.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.138 -0.976 . . . . 0.0 108.833 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 5.7 m -75.73 82.0 2.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.514 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 1.9 m-70 -47.02 -19.09 0.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.585 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' CYS . 14.9 pt-20 -83.26 20.4 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -59.53 -31.98 69.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.108 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 1.5 m-85 -94.26 -34.67 12.77 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -96.56 68.33 2.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.851 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.522 ' NE2' ' O ' ' A' ' 87' ' ' PHE . 58.8 m-70 -58.77 134.46 56.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.425 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.545 -179.838 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' B' ' 0' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.1 p -69.26 168.84 13.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.139 -0.976 . . . . 0.0 109.129 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.51 -34.68 71.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.421 HD23 ' O ' ' B' ' 3' ' ' LEU . 2.6 tt -61.62 -52.82 62.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.817 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.92 -47.49 64.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 0.0 109.43 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.62 -42.02 32.88 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.714 0.769 . . . . 0.0 109.915 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.808 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.89 -29.48 44.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.645 -0.659 . . . . 0.0 111.079 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.18 -48.53 79.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.378 -1.451 . . . . 0.0 108.233 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.25 76.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.012 -1.055 . . . . 0.0 108.709 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.71 -45.21 19.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 108.931 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.56 -42.59 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.29 -51.91 30.88 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.565 0.697 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.64 -45.26 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.643 -0.661 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.13 -32.62 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.334 -1.479 . . . . 0.0 108.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' B' ' 15' ' ' HIS . 16.1 t-80 -79.86 -31.33 40.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.579 -0.7 . . . . 0.0 109.933 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 19.6 tm0? -54.66 -44.98 73.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.273 -0.892 . . . . 0.0 109.86 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 15.1 m-85 -71.96 -48.21 46.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.04 . . . . 0.0 108.915 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 70.5 p -98.55 59.95 1.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.12 -13.42 7.07 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.28 -30.12 71.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.501 -1.0 . . . . 0.0 109.075 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 43.5 mt-10 -147.5 -45.26 0.17 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.593 -1.317 . . . . 0.0 110.032 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.25 13.37 0.12 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 12.5 t70 -49.13 -57.18 7.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.249 . . . . 0.0 108.576 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -89.97 161.17 16.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.14 45.83 1.23 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -133.02 149.08 52.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.803 -0.561 . . . . 0.0 109.62 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 68' ' ' CYS . 10.8 tp -124.23 142.72 51.01 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -92.68 156.57 16.98 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.008 -1.057 . . . . 0.0 109.673 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -61.05 -39.96 91.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 110.436 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -57.83 -40.41 79.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.889 . . . . 0.0 111.017 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -79.95 -33.39 39.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.704 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 32' ' ' LEU . 3.6 tt -60.98 -45.0 96.54 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HZ3' ' HA ' ' B' ' 61' ' ' ASP . 56.9 mttp -52.17 -56.71 12.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.349 -1.47 . . . . 0.0 109.035 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.1 -35.66 11.78 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.746 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.5 -39.57 88.76 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.754 -1.216 . . . . 0.0 109.323 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.22 -35.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.769 -1.207 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.33 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 0.0 111.634 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -108.91 -18.29 13.72 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.053 -1.029 . . . . 0.0 111.328 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.476 ' O ' HD12 ' B' ' 40' ' ' LEU . 80.1 mm-40 -96.33 -28.11 14.65 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.816 -1.178 . . . . 0.0 110.729 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.4 mp -115.32 29.79 7.78 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.8 -25.07 61.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.237 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.72 -41.1 65.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.963 -1.086 . . . . 0.0 109.597 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -72.76 -18.51 61.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.947 . . . . 0.0 109.444 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -46.39 -34.8 4.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.294 -0.879 . . . . 0.0 110.27 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.81 -30.02 29.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.379 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 4.3 mm-40 -92.06 60.28 3.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.18 -0.95 . . . . 0.0 111.187 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.49 116.61 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 109.116 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.85 -46.84 5.5 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.135 -0.978 . . . . 0.0 109.306 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.13 64.8 6.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.88 . . . . 0.0 109.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.25 -24.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.355 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.27 -22.74 57.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -0.999 . . . . 0.0 110.383 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.52 -48.75 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.69 -1.256 . . . . 0.0 108.125 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 78.8 t -64.27 -32.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.879 -1.138 . . . . 0.0 108.759 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.21 -26.46 66.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.002 -1.061 . . . . 0.0 109.947 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -56.33 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.677 -1.265 . . . . 0.0 108.612 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -28.47 25.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 0.0 109.853 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.92 -34.8 20.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.08 -41.85 76.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.667 -1.271 . . . . 0.0 108.278 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.07 -56.93 12.72 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.689 -1.257 . . . . 0.0 108.341 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.401 ' HA ' ' HZ3' ' B' ' 33' ' ' LYS . 38.2 t70 -50.44 -21.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.158 -0.964 . . . . 0.0 108.992 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -104.03 41.47 1.29 Allowed 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.172 0.987 . . . . 0.0 109.596 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.591 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.0 t0 -43.9 -38.93 3.65 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.856 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.83 -8.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.591 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.8 m-20 -107.55 -8.74 16.1 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.85 -1.383 . . . . 0.0 112.35 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 -30.04 2.34 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 119.607 -1.933 . . . . 0.0 110.612 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -147.34 131.69 17.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.903 -1.351 . . . . 0.0 109.815 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' B' ' 27' ' ' LEU . 23.1 m -104.03 126.43 51.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 21.3 t70 -82.43 -173.97 4.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.146 -0.971 . . . . 0.0 110.623 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.473 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.2 t80 -74.62 -27.81 60.61 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.17 -34.55 78.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.049 . . . . 0.0 109.175 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -73.0 -23.13 60.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.997 -1.064 . . . . 0.0 110.042 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.6 ' O ' HG23 ' B' ' 77' ' ' VAL . 72.6 t80 -73.41 -39.81 64.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.937 -1.102 . . . . 0.0 109.657 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 72.8 mmm -69.41 -53.74 17.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.12 -1.613 . . . . 0.0 109.476 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.54 62.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.248 -1.533 . . . . 0.0 111.12 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -62.76 -34.28 76.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.696 -1.253 . . . . 0.0 109.356 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 73' ' ' PHE . 14.4 t -66.34 -33.1 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.283 -0.886 . . . . 0.0 109.07 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.83 -50.58 41.43 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.151 -0.968 . . . . 0.0 110.031 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 73.3 mtp -50.66 -38.22 45.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.127 -0.983 . . . . 0.0 110.706 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.79 -47.57 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.891 -1.131 . . . . 0.0 109.851 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -67.82 -39.77 83.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.181 -0.95 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.9 p -71.05 -22.38 62.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.05 72.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 108.8 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 5.8 m -75.79 82.05 2.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 109.305 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.486 ' N ' ' ND1' ' B' ' 85' ' ' HIS . 1.9 m-70 -46.99 -19.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.495 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 84' ' ' CYS . 14.9 pt-20 -83.31 20.48 1.3 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 0.0 109.534 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.617 ' CZ ' ' CD1' ' B' ' 88' ' ' PHE . 0.3 OUTLIER -59.52 -31.97 69.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 109.118 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' B' ' 87' ' ' PHE . 1.5 m-85 -94.28 -34.67 12.75 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -96.49 68.25 2.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.772 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' B' ' 87' ' ' PHE . 58.8 m-70 -58.7 134.52 56.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.014 -0.994 . . . . 0.0 109.562 -179.861 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.698 ' H3 ' ' CD ' ' A' ' 4' ' ' GLU . 32.4 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 p -75.73 168.79 19.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 0.0 109.372 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.88 -37.45 84.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.042 -1.036 . . . . 0.0 109.437 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -64.62 -49.94 69.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.915 . . . . 0.0 108.994 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.698 ' CD ' ' H3 ' ' A' ' 0' ' ' MET . 73.6 tt0 -51.0 -46.64 61.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 108.963 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.06 -41.27 47.55 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.709 0.766 . . . . 0.0 109.912 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.8 -29.41 55.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.787 -0.571 . . . . 0.0 111.182 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.34 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.448 -1.408 . . . . 0.0 107.894 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -67.76 -36.81 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.26 -0.9 . . . . 0.0 109.214 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.51 -48.38 81.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.172 -0.955 . . . . 0.0 108.633 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 16.5 mt -45.08 -42.48 8.69 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.346 -0.847 . . . . 0.0 108.836 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.24 -39.6 85.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ALA . 25.1 t70 -50.95 -53.61 31.49 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.635 0.731 . . . . 0.0 109.788 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.61 -46.77 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.621 -0.675 . . . . 0.0 110.991 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -53.33 -34.62 58.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.385 -1.447 . . . . 0.0 109.377 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.92 -29.65 32.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 110.327 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.23 -44.7 68.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.208 -0.933 . . . . 0.0 109.345 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -74.06 -41.95 60.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -97.25 60.8 1.68 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.265 -0.897 . . . . 0.0 110.203 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.15 -9.3 8.86 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.48 -32.36 73.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.463 -1.022 . . . . 0.0 109.315 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.8 mp0 -147.63 -43.69 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.57 -1.331 . . . . 0.0 109.853 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.59 13.12 0.24 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLU . 48.6 t0 -49.17 -61.48 2.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.203 -1.174 . . . . 0.0 108.451 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.41 12.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 45.5 p-80 -116.56 48.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -130.63 148.9 52.48 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.56 142.83 51.05 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.8 153.43 18.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.921 -1.112 . . . . 0.0 109.823 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.38 -39.33 75.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.188 -0.945 . . . . 0.0 110.207 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.26 -40.34 89.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 110.919 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.72 -34.04 64.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.329 -0.949 . . . . 0.0 109.276 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.84 -43.22 89.16 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -51.01 -57.71 7.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.533 -1.355 . . . . 0.0 108.739 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -50.03 -36.23 28.0 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.389 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.68 -46.54 72.05 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.786 -1.196 . . . . 0.0 109.454 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.9 mt -53.71 -36.42 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.669 -1.269 . . . . 0.0 109.55 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -63.48 -42.18 98.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.377 -0.827 . . . . 0.0 111.323 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 22.5 t-20 -98.4 -18.72 18.13 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.033 -1.042 . . . . 0.0 111.309 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -93.33 -29.41 15.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.766 -1.209 . . . . 0.0 110.723 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.78 30.14 7.43 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -68.67 -28.56 66.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 50.3 t-80 -74.17 -50.81 17.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.918 -1.114 . . . . 0.0 109.656 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -61.18 -28.7 69.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -46.72 -30.86 2.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.423 -0.798 . . . . 0.0 109.438 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.4 -37.16 52.55 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.01 -1.056 . . . . 0.0 109.398 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.25 59.67 4.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.284 -0.885 . . . . 0.0 110.01 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.94 110.61 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.94 -55.99 3.41 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.995 -1.066 . . . . 0.0 109.138 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 47.9 mp0 -75.45 106.37 6.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.488 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -82.36 -24.28 34.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.057 -1.027 . . . . 0.0 109.439 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.51 -22.22 59.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.302 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.17 -51.51 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.751 -1.218 . . . . 0.0 108.565 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -33.23 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 109.08 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.88 -42.92 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.283 -0.885 . . . . 0.0 109.964 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.22 -26.59 63.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.108 -0.995 . . . . 0.0 110.112 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.78 -56.59 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.793 -1.192 . . . . 0.0 108.239 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 20.1 mtt -55.15 -26.18 36.95 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.4 -0.813 . . . . 0.0 109.916 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.96 -35.17 20.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.095 -1.003 . . . . 0.0 109.053 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -69.83 -43.53 71.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.691 -1.256 . . . . 0.0 107.842 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' GLU . 72.0 mt -61.79 -57.77 10.58 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.705 -1.247 . . . . 0.0 107.994 177.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -49.38 -20.23 0.65 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.154 -0.967 . . . . 0.0 108.93 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' LEU . 94.5 mt-10 -103.52 42.64 1.15 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.236 1.017 . . . . 0.0 109.02 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.5 t0 -43.31 -35.93 1.67 Allowed 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.601 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.36 -10.8 0.01 OUTLIER Glycine 0 N--CA 1.495 2.607 0 O-C-N 122.009 -0.432 . . . . 0.0 112.429 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -106.52 -31.33 8.57 Favored 'General case' 0 N--CA 1.515 2.789 0 CA-C-N 119.444 1.622 . . . . 0.0 112.116 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.61 -26.9 21.94 Favored Glycine 0 N--CA 1.501 2.98 0 O-C-N 119.924 -1.735 . . . . 0.0 109.053 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.5 129.42 13.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.084 -1.245 . . . . 0.0 109.913 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.85 127.82 49.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.265 -0.897 . . . . 0.0 109.432 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.74 5.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.432 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.5 t80 -75.5 -31.07 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.838 . . . . 0.0 109.156 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.72 -36.85 74.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.055 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.4 -21.97 61.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 109.603 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 77' ' ' VAL . 46.1 t80 -75.58 -40.94 55.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.294 -0.879 . . . . 0.0 109.622 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.15 -47.5 67.88 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.197 -1.564 . . . . 0.0 109.119 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.26 17.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.222 -1.549 . . . . 0.0 111.576 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -58.1 -37.78 75.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.574 -1.329 . . . . 0.0 109.891 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.2 t -63.3 -31.47 52.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 108.742 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.94 -50.45 41.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.0 109.747 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.9 mmm -49.84 -39.03 37.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.72 -50.54 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.006 -1.059 . . . . 0.0 109.394 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.3 m -57.94 -41.82 83.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.112 -0.992 . . . . 0.0 108.706 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -73.95 -20.96 60.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.906 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -56.89 -27.16 60.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.476 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' HIS . 14.4 p -74.13 146.49 43.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.343 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' CYS . 1.2 p80 -47.97 174.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.323 -0.861 . . . . 0.0 109.701 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -45.85 97.74 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.298 -0.876 . . . . 0.0 109.745 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.62 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 25.3 p90 -64.84 -25.16 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.307 -0.871 . . . . 0.0 109.778 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.62 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 25.6 m-85 -50.85 -32.66 20.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.975 -1.078 . . . . 0.0 108.756 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -100.14 50.69 0.9 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.546 -0.721 . . . . 0.0 109.32 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -62.13 146.05 51.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 109.367 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 91' ' ' GLU . 1.3 mp0 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.368 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.726 ' H3 ' ' CD ' ' B' ' 4' ' ' GLU . 32.3 mtp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p -75.82 168.86 19.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.254 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.81 -37.55 84.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.48 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.1 tt -64.51 -49.98 69.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.024 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.726 ' CD ' ' H3 ' ' B' ' 0' ' ' MET . 73.5 tt0 -51.01 -46.55 61.58 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.929 . . . . 0.0 108.984 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.12 -41.31 48.34 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.765 0.793 . . . . 0.0 109.889 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.55 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.83 -29.36 55.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.776 -0.577 . . . . 0.0 111.153 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.27 73.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.459 -1.401 . . . . 0.0 107.88 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.83 -36.79 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.169 -0.957 . . . . 0.0 109.199 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 108.606 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' B' ' 9' ' ' ALA . 16.6 mt -45.13 -42.44 8.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.314 -0.866 . . . . 0.0 108.859 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 9' ' ' ALA . 25.1 t70 -50.99 -53.62 31.63 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.62 0.724 . . . . 0.0 109.811 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.56 -46.74 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.624 -0.673 . . . . 0.0 110.994 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.37 -34.59 58.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.372 -1.455 . . . . 0.0 109.372 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.93 -29.66 32.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 110.334 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.14 -44.8 68.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.291 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -74.13 -41.96 60.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.026 -1.046 . . . . 0.0 109.026 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -97.18 60.81 1.7 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.252 -0.905 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.21 -9.28 8.83 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.38 -32.46 73.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.422 -1.046 . . . . 0.0 109.348 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.8 mp0 -147.6 -43.73 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.613 -1.304 . . . . 0.0 109.899 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.58 13.07 0.24 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 48.6 t0 -49.1 -61.52 2.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -1.22 . . . . 0.0 108.4 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.38 12.35 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 45.5 p-80 -116.45 48.51 1.26 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -130.59 148.92 52.44 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.6 142.75 51.13 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.73 153.47 18.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.899 -1.126 . . . . 0.0 109.87 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.562 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.45 -39.3 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.403 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 67.1 m -60.23 -40.29 89.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 110.964 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.81 -33.99 64.42 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.286 -0.965 . . . . 0.0 109.247 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.5 tp -65.83 -43.26 89.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -50.97 -57.68 7.97 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.49 -1.381 . . . . 0.0 108.774 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -50.09 -36.13 28.18 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.425 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.77 -46.58 71.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.735 -1.228 . . . . 0.0 109.436 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.65 -36.45 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.689 -1.257 . . . . 0.0 109.574 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -63.47 -42.11 98.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -0.806 . . . . 0.0 111.322 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 38' ' ' ASN . 22.5 t-20 -98.46 -18.74 18.06 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.054 -1.029 . . . . 0.0 111.287 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.27 -29.51 15.64 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.699 -1.251 . . . . 0.0 110.742 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.75 30.23 7.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.38 -0.825 . . . . 0.0 108.844 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -68.73 -28.48 66.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.862 . . . . 0.0 109.898 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.438 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 50.2 t-80 -74.29 -50.7 17.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.942 -1.098 . . . . 0.0 109.678 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -61.24 -28.67 69.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.568 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -46.77 -30.87 2.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -0.797 . . . . 0.0 109.45 -179.556 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -77.36 -37.15 52.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.989 -1.069 . . . . 0.0 109.424 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.27 59.69 4.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.313 -0.867 . . . . 0.0 110.101 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.92 110.63 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.93 -56.08 3.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 47.9 mp0 -75.4 106.35 6.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.923 . . . . 0.0 109.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.4 -24.17 34.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.57 -22.17 59.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.194 -0.941 . . . . 0.0 110.287 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.2 -51.52 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.648 -1.282 . . . . 0.0 108.532 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.41 -33.27 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.891 -1.131 . . . . 0.0 109.049 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.91 -42.88 94.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.277 -0.889 . . . . 0.0 109.982 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -70.24 -26.53 63.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 110.122 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 80.8 t -65.77 -56.72 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.806 -1.184 . . . . 0.0 108.189 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.415 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 20.1 mtt -55.08 -26.17 36.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.391 -0.818 . . . . 0.0 109.909 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.95 -35.23 20.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.031 -1.043 . . . . 0.0 109.021 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -69.85 -43.51 71.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.722 -1.236 . . . . 0.0 107.824 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' B' ' 62' ' ' GLU . 72.1 mt -61.83 -57.66 10.96 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.704 -1.248 . . . . 0.0 108.0 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' B' ' 57' ' ' MET . 0.9 OUTLIER -49.44 -20.15 0.66 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 108.984 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' B' ' 60' ' ' LEU . 94.6 mt-10 -103.33 42.49 1.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.187 0.994 . . . . 0.0 109.303 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.2 t0 -43.48 -35.68 1.72 Allowed 'General case' 0 C--N 1.276 -2.611 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.236 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.28 -11.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.486 0 C-N-CA 121.394 -0.431 . . . . 0.0 112.52 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.8 OUTLIER -106.41 -31.39 8.59 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.477 1.638 . . . . 0.0 112.106 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.03 21.41 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.811 -1.806 . . . . 0.0 109.077 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.4 129.4 13.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.105 -1.232 . . . . 0.0 109.91 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.87 127.83 49.91 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.242 -0.911 . . . . 0.0 109.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.73 5.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 109.799 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.443 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 29.4 t80 -75.53 -31.02 59.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.334 -0.854 . . . . 0.0 109.177 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.78 -36.81 75.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.95 -1.094 . . . . 0.0 109.001 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.42 -22.01 61.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.131 -0.981 . . . . 0.0 109.571 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.525 ' O ' HG23 ' B' ' 77' ' ' VAL . 46.2 t80 -75.52 -40.93 56.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.344 -0.847 . . . . 0.0 109.668 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.21 -47.41 67.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.194 -1.566 . . . . 0.0 109.093 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.45 -56.21 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.127 -1.608 . . . . 0.0 111.563 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.15 -37.75 75.25 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.561 -1.337 . . . . 0.0 109.863 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.3 t -63.28 -31.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.147 -0.971 . . . . 0.0 108.74 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.91 -50.44 42.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.0 109.741 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 mmm -49.8 -39.11 37.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.71 -50.49 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.99 -1.069 . . . . 0.0 109.419 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -57.97 -41.78 83.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.127 -0.983 . . . . 0.0 108.696 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -73.98 -20.98 60.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.527 -0.733 . . . . 0.0 109.853 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 49' ' ' GLU . . . -56.85 -27.21 59.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' B' ' 85' ' ' HIS . 14.4 p -74.14 146.57 43.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.283 -0.885 . . . . 0.0 109.322 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' B' ' 84' ' ' CYS . 1.2 p80 -48.1 174.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.899 . . . . 0.0 109.684 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -45.79 97.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.272 -0.892 . . . . 0.0 109.729 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 25.1 p90 -64.81 -25.14 67.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 25.7 m-85 -50.82 -32.68 20.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.123 . . . . 0.0 108.762 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -100.23 50.71 0.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.602 -0.686 . . . . 0.0 109.324 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -62.2 146.16 51.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 109.375 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 91' ' ' GLU . 1.3 mp0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 10.3 p -65.4 173.9 2.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.164 -0.96 . . . . 0.0 109.226 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.04 -33.51 75.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -61.41 -49.98 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.835 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' OE1' ' OG ' ' A' ' 1' ' ' SER . 2.6 mp0 -53.16 -47.75 68.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.873 -1.142 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.58 -42.02 55.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.817 0.818 . . . . 0.0 109.771 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.18 -29.32 54.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.684 -0.635 . . . . 0.0 110.451 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.58 -45.02 94.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.713 -1.242 . . . . 0.0 108.475 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.85 -35.86 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.457 -0.777 . . . . 0.0 109.764 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.77 76.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 109.755 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -51.98 -56.23 15.5 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.904 0.859 . . . . 0.0 110.266 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.51 -37.85 47.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.86 -0.525 . . . . 0.0 110.142 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.99 -37.77 72.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.911 -1.118 . . . . 0.0 110.634 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.38 -42.69 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.439 -1.413 . . . . 0.0 109.012 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -54.34 -31.86 55.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.65 -1.281 . . . . 0.0 108.031 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.6 -31.43 47.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.616 -0.677 . . . . 0.0 110.097 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.36 -45.29 72.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.86 . . . . 0.0 109.918 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -72.47 -44.32 62.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.938 -1.101 . . . . 0.0 109.178 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -97.34 60.32 1.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 0.0 109.978 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.72 -9.56 8.28 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.13 -31.85 72.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.603 -0.94 . . . . 0.0 108.976 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' ASP . 36.7 mt-10 -148.69 -45.33 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.644 -1.285 . . . . 0.0 109.877 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.11 15.09 0.17 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 21' ' ' GLU . 89.8 m-20 -48.03 -57.33 5.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -1.191 . . . . 0.0 108.35 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.62 16.82 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -105.87 45.57 0.97 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.84 150.54 52.12 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.904 -0.498 . . . . 0.0 109.776 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.52 140.85 52.56 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.44 153.4 21.19 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.948 -1.095 . . . . 0.0 109.622 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -60.11 -41.47 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 110.338 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -56.38 -37.38 70.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 110.902 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.18 -35.38 28.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.889 -1.132 . . . . 0.0 109.035 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.48 -45.58 88.37 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 2.2 ttmp? -52.78 -57.68 9.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.7 -1.25 . . . . 0.0 108.684 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.63 -37.41 28.01 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.08 -38.21 85.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.989 -1.069 . . . . 0.0 109.439 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.81 -34.66 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.745 -1.222 . . . . 0.0 109.324 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.97 -47.9 75.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.539 -0.726 . . . . 0.0 112.248 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.63 6.22 42.26 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.771 -1.206 . . . . 0.0 111.79 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 3' ' ' LEU . 66.3 mm-40 -122.42 -21.47 5.77 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.023 -1.048 . . . . 0.0 110.854 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.65 24.47 9.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.128 -0.982 . . . . 0.0 109.954 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -73.55 -25.87 60.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.435 ' HD1' ' N ' ' A' ' 42' ' ' HIS . 2.0 m80 -73.12 -51.39 18.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.145 -0.972 . . . . 0.0 110.043 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -64.23 -16.98 63.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.984 . . . . 0.0 109.39 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -45.82 -33.92 3.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 109.638 -179.497 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.01 -36.13 49.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.039 -1.038 . . . . 0.0 110.269 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.39 56.98 3.81 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 111.062 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.8 128.34 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.14 -55.69 2.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.275 -0.89 . . . . 0.0 109.693 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.32 107.13 6.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.158 -0.964 . . . . 0.0 109.655 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.0 -24.38 30.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.405 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -73.05 -22.53 60.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -0.886 . . . . 0.0 110.143 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.75 -47.54 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.682 -1.261 . . . . 0.0 107.777 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.47 -33.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.026 -1.046 . . . . 0.0 108.985 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.95 -45.84 89.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.44 -0.787 . . . . 0.0 109.647 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -69.84 -25.94 63.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.867 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.89 -56.97 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.783 -1.198 . . . . 0.0 107.919 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.55 -25.84 18.74 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.309 -0.869 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.4 -38.49 15.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.111 -0.993 . . . . 0.0 109.035 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.83 -46.18 72.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 23.0 tp -59.91 -57.57 12.29 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.887 -1.133 . . . . 0.0 108.14 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.08 -18.84 0.62 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 109.36 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 57.6 mm-40 -101.23 41.31 1.2 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 122.21 1.005 . . . . 0.0 109.402 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.3 t0 -44.7 -35.04 2.47 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.231 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.3 -7.17 0.01 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.423 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 63' ' ' ASP . 89.2 m-20 -104.56 -31.21 9.54 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 119.349 1.575 . . . . 0.0 111.99 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.78 -26.12 24.33 Favored Glycine 0 N--CA 1.502 3.058 0 O-C-N 119.858 -1.776 . . . . 0.0 108.881 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.85 131.32 16.7 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.271 -1.135 . . . . 0.0 109.239 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.07 127.22 52.79 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.105 -0.997 . . . . 0.0 109.569 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.09 5.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.32 -0.863 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.25 -25.71 59.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.446 -0.784 . . . . 0.0 109.253 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.38 -36.57 84.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.842 -1.162 . . . . 0.0 108.948 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.52 -22.48 61.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.212 -0.93 . . . . 0.0 109.737 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -76.24 -42.3 46.32 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -0.774 . . . . 0.0 109.203 178.582 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.41 -56.11 9.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.161 -1.587 . . . . 0.0 108.954 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.17 58.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.331 -1.481 . . . . 0.0 110.783 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.52 -34.53 72.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.72 -1.237 . . . . 0.0 109.64 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 73' ' ' PHE . 24.8 t -69.03 -32.9 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.0 108.607 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.33 -53.19 20.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.538 ' O ' ' N ' ' A' ' 83' ' ' ALA . 42.1 mtp -52.08 -52.11 53.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.0 109.895 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.05 -39.78 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.607 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -69.39 -48.73 60.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.039 -1.038 . . . . 0.0 108.82 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.3 p -72.67 -18.4 61.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.498 -0.752 . . . . 0.0 109.703 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.12 -29.19 57.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 0.0 109.235 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' HIS . 20.8 p -73.54 152.63 40.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.396 -0.815 . . . . 0.0 109.211 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -47.91 175.37 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.747 -179.636 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -44.25 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.416 -0.802 . . . . 0.0 109.988 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 40.6 p90 -62.3 -24.51 67.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.186 -0.946 . . . . 0.0 109.121 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 87' ' ' PHE . 58.5 m-85 -50.02 -37.0 30.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.201 -0.937 . . . . 0.0 108.804 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.38 57.08 2.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -59.57 104.75 0.3 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 0.0 109.266 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.41 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' B' ' 0' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 10.4 p -65.5 173.91 2.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.212 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.0 -33.42 75.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.497 HD13 ' OE1' ' A' ' 39' ' ' GLU . 1.1 tt -61.41 -50.01 74.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.804 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 1' ' ' SER . 2.6 mp0 -53.19 -47.72 68.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.932 -1.105 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.7 -41.9 56.39 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.804 0.811 . . . . 0.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.2 -29.38 54.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.699 -0.625 . . . . 0.0 110.459 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.52 -45.0 94.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.743 -1.223 . . . . 0.0 108.457 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -69.96 -35.8 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.454 -0.779 . . . . 0.0 109.708 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.83 76.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.269 -0.894 . . . . 0.0 109.744 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.9 -56.22 15.43 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.884 0.85 . . . . 0.0 110.26 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.2 mt -55.59 -37.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.144 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -70.92 -37.79 72.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.896 -1.127 . . . . 0.0 110.658 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.38 -42.71 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.447 -1.408 . . . . 0.0 108.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.25 -31.86 54.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.664 -1.272 . . . . 0.0 108.013 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.72 -31.39 46.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.605 -0.684 . . . . 0.0 110.056 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.33 -45.24 72.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -72.49 -44.28 62.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.941 -1.099 . . . . 0.0 109.169 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -97.42 60.42 1.61 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.75 -9.53 8.27 Favored Glycine 0 N--CA 1.5 2.953 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.15 -31.77 72.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.616 -0.932 . . . . 0.0 108.973 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 23' ' ' ASP . 36.7 mt-10 -148.75 -45.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.694 -1.254 . . . . 0.0 109.848 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.08 15.11 0.17 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 21' ' ' GLU . 89.7 m-20 -48.07 -57.36 5.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -1.169 . . . . 0.0 108.32 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.52 16.88 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.401 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.0 p-80 -105.81 45.61 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.8 150.49 52.14 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.906 -0.496 . . . . 0.0 109.807 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.51 140.89 52.52 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.41 153.31 21.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.956 -1.09 . . . . 0.0 109.671 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -59.96 -41.59 92.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -37.38 69.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 110.939 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.22 -35.44 28.21 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.984 -1.072 . . . . 0.0 109.006 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.46 -45.61 88.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.439 ' CB ' ' NZ ' ' B' ' 33' ' ' LYS . 2.2 ttmp? -52.84 -57.6 9.66 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.626 -1.296 . . . . 0.0 108.664 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.72 -37.2 28.27 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.23 -38.16 84.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.055 -1.028 . . . . 0.0 109.436 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.82 -34.75 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.733 -1.23 . . . . 0.0 109.287 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -64.89 -47.9 76.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 112.244 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -89.69 6.27 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.814 -1.179 . . . . 0.0 111.759 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.498 ' OE1' HD13 ' A' ' 3' ' ' LEU . 66.3 mm-40 -122.47 -21.49 5.74 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.075 -1.015 . . . . 0.0 110.83 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.59 24.37 9.22 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.24 -0.912 . . . . 0.0 109.98 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -73.5 -25.88 60.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 109.758 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.426 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 2.0 m80 -73.15 -51.35 18.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.151 -0.968 . . . . 0.0 110.036 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.31 -16.99 63.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.19 -0.944 . . . . 0.0 109.39 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.57 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -45.66 -34.01 3.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.675 -179.57 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.05 -36.09 48.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.44 57.0 3.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 111.079 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 68.7 mt -127.81 128.27 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.12 -55.73 2.36 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.292 -0.88 . . . . 0.0 109.65 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.28 107.14 6.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -84.01 -24.38 30.56 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.072 -1.018 . . . . 0.0 109.402 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -73.05 -22.45 60.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.156 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.1 t -72.81 -47.56 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.628 -1.295 . . . . 0.0 107.733 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.46 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.08 -1.013 . . . . 0.0 108.992 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.94 -45.85 89.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.454 -0.779 . . . . 0.0 109.65 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -69.81 -25.92 64.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.198 -0.939 . . . . 0.0 109.864 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.92 -57.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.734 -1.229 . . . . 0.0 107.887 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.8 mmt -53.5 -25.83 18.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.869 . . . . 0.0 109.486 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.42 -38.51 14.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.132 -0.98 . . . . 0.0 109.035 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.7 -46.22 72.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.93 -57.57 12.31 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.862 -1.149 . . . . 0.0 108.099 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.09 -18.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.44 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -100.76 40.72 1.24 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.128 0.966 . . . . 0.0 109.697 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' B' ' 65' ' ' ASP . 27.5 t0 -45.02 -34.12 2.35 Favored 'General case' 0 C--N 1.276 -2.611 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.23 -8.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.618 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.609 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 63' ' ' ASP . 89.2 m-20 -104.14 -31.17 9.77 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.466 1.633 . . . . 0.0 112.096 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.86 -26.26 23.83 Favored Glycine 0 N--CA 1.499 2.878 0 O-C-N 119.939 -1.726 . . . . 0.0 108.85 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.72 131.22 16.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.279 -1.13 . . . . 0.0 109.244 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.0 127.22 52.77 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.139 -0.976 . . . . 0.0 109.598 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.01 5.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.3 -25.71 59.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.425 -0.797 . . . . 0.0 109.22 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.4 -36.53 84.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.88 -1.138 . . . . 0.0 108.964 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.58 -22.46 61.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -76.3 -42.21 46.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.477 -0.765 . . . . 0.0 109.213 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.5 -56.04 9.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.2 -1.563 . . . . 0.0 108.988 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.2 58.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.366 -1.459 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.51 -34.49 72.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.756 -1.215 . . . . 0.0 109.659 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 73' ' ' PHE . 24.8 t -69.07 -32.86 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.975 . . . . 0.0 108.635 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.35 -53.26 20.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.234 -0.917 . . . . 0.0 109.645 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' B' ' 83' ' ' ALA . 42.2 mtp -52.03 -52.07 53.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.173 -0.954 . . . . 0.0 109.903 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.11 -39.77 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.425 -0.797 . . . . 0.0 109.594 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.7 m -69.43 -48.72 60.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.1 p -72.71 -18.36 61.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.665 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.17 -29.11 57.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' B' ' 85' ' ' HIS . 21.0 p -73.64 152.68 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.427 -0.796 . . . . 0.0 109.167 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.448 ' O ' ' O ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -47.89 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.886 . . . . 0.0 109.781 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' B' ' 86' ' ' GLU . 0.7 OUTLIER -44.23 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.403 -0.811 . . . . 0.0 109.989 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.575 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 40.7 p90 -62.27 -24.36 67.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 109.072 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CE1' ' CE1' ' B' ' 87' ' ' PHE . 59.3 m-85 -50.11 -37.0 31.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 0.0 108.918 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.28 56.94 2.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.524 -0.735 . . . . 0.0 109.205 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -59.61 104.83 0.31 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 0.0 109.257 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.398 -179.707 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 p -84.85 166.01 17.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.134 -0.978 . . . . 0.0 108.996 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.07 69.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.66 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.4 tt -59.62 -49.97 75.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.294 -0.879 . . . . 0.0 109.626 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.15 -47.06 84.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.002 -1.061 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -46.63 -42.95 17.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.825 0.821 . . . . 0.0 109.724 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.52 -28.65 41.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.666 -0.646 . . . . 0.0 110.749 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.17 -47.79 82.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.388 -1.445 . . . . 0.0 108.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 0.0 109.536 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.68 81.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.152 -0.967 . . . . 0.0 109.329 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.66 -45.12 27.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.876 -1.14 . . . . 0.0 109.003 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.62 -43.33 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.459 -0.897 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -50.69 -49.44 57.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.561 -0.712 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -76.79 -46.55 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 110.991 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -51.07 -33.82 27.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.531 -1.355 . . . . 0.0 109.319 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -80.47 -30.37 37.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 110.361 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -54.01 -45.02 71.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -73.91 -39.7 63.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.024 -1.047 . . . . 0.0 108.886 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.9 56.61 0.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.79 . . . . 0.0 109.912 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.7 11.09 Favored Glycine 0 N--CA 1.503 3.113 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -65.67 -32.24 73.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.589 -0.948 . . . . 0.0 109.251 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 47.0 mt-10 -146.96 -45.27 0.18 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.29 0.25 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.4 m-20 -47.9 -63.17 1.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.113 -1.227 . . . . 0.0 108.348 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -88.81 172.81 8.94 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.639 ' CD2' ' H ' ' A' ' 25' ' ' HIS . 4.8 p80 -118.98 49.8 1.28 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -130.75 147.16 52.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.894 -0.504 . . . . 0.0 109.646 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.13 52.67 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.04 149.13 25.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.01 -1.056 . . . . 0.0 109.446 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.1 pttm -57.21 -41.31 79.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.849 -1.157 . . . . 0.0 109.695 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 39.9 m -57.76 -39.61 77.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.645 -0.659 . . . . 0.0 111.137 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.27 -34.84 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.905 -1.122 . . . . 0.0 108.922 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -45.14 95.42 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.93 -57.15 12.05 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.687 -1.258 . . . . 0.0 108.829 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.01 -36.56 18.05 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.571 -0.851 . . . . 0.0 108.942 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.44 -36.31 78.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.929 . . . . 0.0 109.698 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.85 -35.73 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.806 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.64 -48.81 68.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 111.819 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.44 5.91 32.85 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.042 -1.036 . . . . 0.0 111.452 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.83 -26.61 3.45 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.989 -1.069 . . . . 0.0 111.178 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.63 12.36 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.1 -1.0 . . . . 0.0 109.138 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.75 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.427 -0.796 . . . . 0.0 109.536 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.434 ' C ' ' ND1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -72.88 -49.82 27.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 0.0 110.067 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.04 -19.2 64.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 109.806 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.48 -25.94 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.436 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -78.48 -39.21 39.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -0.974 . . . . 0.0 109.927 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.1 57.99 3.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.266 -0.896 . . . . 0.0 110.375 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -117.72 104.5 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -83.63 -51.13 7.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.006 -1.059 . . . . 0.0 109.173 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.02 103.09 12.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.118 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.32 -21.47 45.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.93 -1.106 . . . . 0.0 109.468 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.32 -21.97 60.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.6 t -74.69 -49.97 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.62 -1.3 . . . . 0.0 108.071 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.97 -33.52 58.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.886 -1.134 . . . . 0.0 108.917 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.12 -46.57 89.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.33 -0.856 . . . . 0.0 109.647 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.16 -26.85 65.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.061 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.08 -56.15 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.69 -1.256 . . . . 0.0 108.267 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.63 -25.36 38.54 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.358 -0.838 . . . . 0.0 110.4 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -85.73 -35.43 20.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.9 -1.125 . . . . 0.0 109.28 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.91 -47.13 69.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.805 -1.184 . . . . 0.0 108.012 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.23 -56.72 18.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.642 -1.286 . . . . 0.0 107.829 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.16 -22.61 1.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 108.952 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -103.41 41.62 1.25 Allowed 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 122.106 0.955 . . . . 0.0 109.012 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 65' ' ' ASP . 22.9 p-10 -43.85 -34.12 1.52 Allowed 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.726 0.774 . . . . 0.0 109.67 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.17 -9.07 0.01 OUTLIER Glycine 0 N--CA 1.495 2.571 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.82 8.11 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 119.226 1.513 . . . . 0.0 112.101 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -26.09 23.38 Favored Glycine 0 N--CA 1.502 3.087 0 O-C-N 119.836 -1.79 . . . . 0.0 109.494 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -149.3 131.46 15.43 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.095 -1.238 . . . . 0.0 109.776 179.169 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.88 125.48 48.57 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.096 -1.002 . . . . 0.0 109.518 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.2 m-20 -83.81 -173.42 4.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.271 -0.893 . . . . 0.0 110.021 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.84 -26.43 59.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.305 -0.872 . . . . 0.0 109.052 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -62.65 -35.64 80.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.801 -1.187 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -73.18 -23.11 60.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.141 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.2 t80 -78.28 -42.07 32.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 109.566 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.56 -31.14 68.06 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.381 -1.449 . . . . 0.0 109.514 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.31 -55.24 5.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.199 -1.563 . . . . 0.0 110.906 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.28 -33.8 71.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.521 -1.362 . . . . 0.0 109.707 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 73' ' ' PHE . 39.9 t -65.1 -32.38 58.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.262 -0.898 . . . . 0.0 108.619 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.06 -51.28 40.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.48 -40.1 50.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 110.418 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.23 -57.23 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.006 -1.059 . . . . 0.0 109.516 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.6 p -60.39 -38.55 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.05 -1.031 . . . . 0.0 108.503 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -74.64 -20.83 59.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.605 -0.684 . . . . 0.0 110.061 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -43.49 66.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.895 -1.128 . . . . 0.0 108.703 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 46.4 t -76.57 49.74 0.63 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -46.36 172.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.482 -0.761 . . . . 0.0 109.881 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 62.01 19.29 10.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -0.85 . . . . 0.0 109.604 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 17.6 p90 -62.17 -23.63 66.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 109.495 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.612 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 21.4 m-85 -50.52 -38.31 43.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -0.949 . . . . 0.0 109.352 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 91' ' ' GLU . 73.7 mt-10 -84.86 61.55 6.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.593 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -67.77 75.65 0.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.366 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 89' ' ' GLU . 41.3 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.492 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.443 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 39.3 ttp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 p -84.82 166.03 17.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.211 -0.931 . . . . 0.0 108.972 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.04 69.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.944 . . . . 0.0 109.681 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.472 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.4 tt -59.71 -49.89 75.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.621 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' B' ' 0' ' ' MET . 21.9 mt-10 -58.15 -47.11 84.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.055 -1.028 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -46.53 -43.05 16.62 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.827 0.822 . . . . 0.0 109.713 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.53 -28.64 41.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.72 -0.612 . . . . 0.0 110.716 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.12 -47.84 82.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.42 -1.425 . . . . 0.0 108.558 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.485 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.62 81.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.72 -45.11 28.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.927 -1.108 . . . . 0.0 109.008 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.69 -43.25 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.605 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.78 -49.44 58.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.579 -0.701 . . . . 0.0 110.049 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.9 t -76.77 -46.63 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -0.876 . . . . 0.0 110.927 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -50.95 -33.88 26.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.515 -1.366 . . . . 0.0 109.312 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -80.51 -30.34 37.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 110.351 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -53.99 -45.1 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.188 -0.945 . . . . 0.0 109.959 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -73.88 -39.62 63.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.046 -1.034 . . . . 0.0 108.934 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.98 56.63 0.96 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 109.841 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.75 11.05 Favored Glycine 0 N--CA 1.503 3.11 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -65.69 -32.23 73.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.623 -0.927 . . . . 0.0 109.186 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 23' ' ' ASP . 47.0 mt-10 -146.94 -45.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.584 -1.323 . . . . 0.0 109.923 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.27 0.25 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 21' ' ' GLU . 17.4 m-20 -47.91 -63.21 1.13 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.142 -1.21 . . . . 0.0 108.293 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -88.81 172.79 8.95 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CE1' ' NZ ' ' B' ' 26' ' ' LYS . 21.9 p-80 -118.93 49.73 1.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.463 ' NZ ' ' CE1' ' B' ' 25' ' ' HIS . 50.3 mttp -130.75 147.22 52.39 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.12 52.68 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.06 149.12 25.38 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.034 -1.041 . . . . 0.0 109.455 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.1 pttm -57.12 -41.38 78.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.85 -1.156 . . . . 0.0 109.681 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 39.6 m -57.73 -39.66 77.84 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.645 -0.659 . . . . 0.0 111.112 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.21 -34.81 37.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.889 -1.132 . . . . 0.0 108.974 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.77 -45.09 95.7 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.95 -57.1 12.25 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.681 -1.262 . . . . 0.0 108.844 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.1 -36.56 19.02 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.933 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.37 -36.36 79.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 0.0 109.706 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.83 -35.64 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.799 -1.188 . . . . 0.0 109.84 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.66 -48.81 68.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.797 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.43 5.81 33.26 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.022 -1.049 . . . . 0.0 111.463 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.73 -26.64 3.47 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.992 -1.067 . . . . 0.0 111.17 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.62 12.36 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.09 -1.006 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.81 61.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 0.3 OUTLIER -72.8 -49.87 27.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.085 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.1 -19.13 64.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.771 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.492 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.46 -25.93 2.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.288 -0.883 . . . . 0.0 109.474 -179.486 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -78.55 -39.15 38.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.161 -0.962 . . . . 0.0 109.889 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.07 57.93 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.207 -0.933 . . . . 0.0 110.422 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -117.71 104.61 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -83.7 -51.13 7.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.028 -1.045 . . . . 0.0 109.162 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.07 103.15 13.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.885 . . . . 0.0 109.09 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.34 -21.46 45.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.971 -1.081 . . . . 0.0 109.454 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -73.39 -21.97 60.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.174 -0.954 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.6 -49.99 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.678 -1.264 . . . . 0.0 108.107 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.06 -33.44 58.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 120.957 -1.089 . . . . 0.0 108.885 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.21 -46.47 89.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -0.886 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.2 -26.83 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 110.085 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.13 -56.15 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.72 -1.238 . . . . 0.0 108.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.6 -25.47 38.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.469 -0.77 . . . . 0.0 110.323 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -85.65 -35.42 20.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.962 -1.086 . . . . 0.0 109.283 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.96 -47.1 69.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.798 -1.189 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.19 -56.71 18.66 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.681 -1.262 . . . . 0.0 107.841 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.22 -22.54 1.78 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 108.94 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -103.45 41.72 1.24 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.199 0.999 . . . . 0.0 109.272 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' B' ' 65' ' ' ASP . 22.9 p-10 -43.59 -34.37 1.4 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.03 -9.08 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.019 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.581 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.71 8.16 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 119.145 1.473 . . . . 0.0 112.113 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.1 -26.29 22.57 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 119.769 -1.832 . . . . 0.0 109.447 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -149.2 131.51 15.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.129 -1.218 . . . . 0.0 109.715 179.28 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.94 125.53 48.65 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.176 -0.953 . . . . 0.0 109.468 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 1.2 m-20 -83.87 -173.44 4.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.013 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -74.83 -26.37 59.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.087 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.74 -35.62 80.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.936 -1.102 . . . . 0.0 108.372 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -73.14 -23.14 60.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.472 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.2 t80 -78.35 -42.02 31.77 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.52 -31.2 68.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.373 -1.454 . . . . 0.0 109.527 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.25 -55.25 5.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.241 -1.537 . . . . 0.0 110.919 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.25 -33.86 71.54 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.536 -1.352 . . . . 0.0 109.708 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.1 t -65.07 -32.37 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 0.0 108.633 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.12 -51.15 41.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.301 -0.874 . . . . 0.0 109.565 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.56 -40.02 50.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.968 . . . . 0.0 110.447 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.27 -57.24 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.966 -1.084 . . . . 0.0 109.479 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.8 p -60.39 -38.56 84.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.089 -1.007 . . . . 0.0 108.507 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 m -74.69 -20.8 59.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.553 -0.717 . . . . 0.0 110.05 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.44 66.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.162 . . . . 0.0 108.693 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 46.4 t -76.62 49.77 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -46.3 172.68 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.449 -0.782 . . . . 0.0 109.92 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 62.03 19.2 10.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.37 -0.831 . . . . 0.0 109.585 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 17.8 p90 -62.1 -23.58 66.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.213 -0.929 . . . . 0.0 109.502 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 21.6 m-85 -50.56 -38.33 44.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 0.0 109.32 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 91' ' ' GLU . 73.7 mt-10 -84.82 61.6 6.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.454 -0.779 . . . . 0.0 109.587 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -67.85 75.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.222 -0.923 . . . . 0.0 109.336 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 89' ' ' GLU . 41.2 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.514 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.503 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 26.2 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 p -62.64 172.05 1.78 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.119 -0.988 . . . . 0.0 108.983 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.1 -34.51 78.2 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.066 -1.021 . . . . 0.0 109.385 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.4 tt -57.56 -52.88 63.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.296 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 0' ' ' MET . 33.6 mt-10 -53.1 -46.96 68.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 110.021 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.76 -44.55 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.947 0.88 . . . . 0.0 109.346 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.72 -29.55 51.26 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.919 -0.488 . . . . 0.0 110.723 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.43 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -62.81 -47.15 84.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.678 -1.264 . . . . 0.0 108.545 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.03 -35.99 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.485 -0.759 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.79 76.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.896 -1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.88 -55.72 21.09 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.955 0.883 . . . . 0.0 110.269 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.04 -43.11 68.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.894 -0.504 . . . . 0.0 110.371 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.93 -36.89 78.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.779 -1.2 . . . . 0.0 110.578 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.65 -36.08 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.479 -1.388 . . . . 0.0 108.91 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.77 -31.77 66.84 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.063 -1.023 . . . . 0.0 108.346 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.08 -30.47 43.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.57 -0.706 . . . . 0.0 109.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.472 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 13.3 tm0? -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.074 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.472 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 24.0 m-85 -75.01 -41.22 59.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.083 -1.01 . . . . 0.0 109.323 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 18' ' ' SER . 15.2 p -97.24 57.58 1.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.58 -11.26 8.02 Favored Glycine 0 N--CA 1.501 3.013 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.14 -29.73 69.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.528 -0.983 . . . . 0.0 108.794 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' ASP . 7.7 pt-20 -147.85 -45.68 0.16 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.675 -1.266 . . . . 0.0 110.02 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.73 7.45 0.28 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' GLU . 57.7 t0 -49.37 -61.88 1.85 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.285 . . . . 0.0 108.269 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.2 -178.43 5.65 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -129.25 48.87 2.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.51 145.82 51.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.76 -0.587 . . . . 0.0 109.717 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.7 142.49 51.36 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -94.67 158.99 15.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.079 -1.013 . . . . 0.0 109.924 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -63.04 -37.95 89.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.08 -43.67 95.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 111.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.25 -33.42 49.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.95 -1.094 . . . . 0.0 109.084 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.04 -43.27 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.51 -56.42 13.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.636 -1.29 . . . . 0.0 108.712 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.6 -34.03 7.32 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.498 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.86 -46.79 70.74 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.925 -1.109 . . . . 0.0 109.476 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.25 -35.15 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.818 -1.176 . . . . 0.0 109.768 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -68.07 -26.8 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 112.145 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.71 -18.86 13.72 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.956 -1.09 . . . . 0.0 111.66 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' C ' HD12 ' A' ' 40' ' ' LEU . 11.0 mm-40 -102.37 -26.12 13.4 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.843 -1.161 . . . . 0.0 110.828 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 39' ' ' GLU . 7.4 mp -112.76 24.02 12.87 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 p -72.85 -26.02 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.485 -0.759 . . . . 0.0 109.734 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.9 -50.35 20.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.065 -1.022 . . . . 0.0 110.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLU . 79.6 m-85 -64.22 -25.58 68.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.145 -0.972 . . . . 0.0 109.669 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.52 -16.88 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.287 -0.883 . . . . 0.0 109.174 -179.561 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' PHE . 54.3 tt0 -82.93 -42.28 17.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 110.144 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 23.8 mt-10 -85.7 58.11 4.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.222 -0.924 . . . . 0.0 110.281 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.6 mm -117.38 104.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.515 -0.741 . . . . 0.0 109.058 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.93 -44.52 7.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.143 -0.973 . . . . 0.0 109.524 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLU . 16.7 tp10 -87.56 66.07 8.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.0 108.997 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.31 -20.99 0.06 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 110.69 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' GLU . 20.4 mt-10 -74.04 -24.73 59.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 111.031 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.75 -49.78 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.374 -1.454 . . . . 0.0 108.021 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.17 -33.49 58.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 108.56 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.47 -45.77 90.7 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -68.38 -27.24 66.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 109.706 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.22 -56.07 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.615 -1.303 . . . . 0.0 107.574 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -29.11 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.119 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.18 -38.7 16.15 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.03 -1.044 . . . . 0.0 109.151 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.2 m -66.6 -42.31 87.07 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.72 -57.65 6.0 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.874 -1.141 . . . . 0.0 108.295 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -50.73 -19.49 0.96 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.08 -1.012 . . . . 0.0 109.234 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.33 43.08 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.35 1.071 . . . . 0.0 108.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 65' ' ' ASP . 39.8 t0 -44.22 -32.76 1.35 Allowed 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.405 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.12 -10.45 0.01 OUTLIER Glycine 0 N--CA 1.499 2.883 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.6 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.1 p30 -106.13 -31.48 8.68 Favored 'General case' 0 N--CA 1.512 2.645 0 CA-C-N 119.264 1.532 . . . . 0.0 112.022 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.63 -24.34 27.44 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 119.918 -1.738 . . . . 0.0 109.271 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.74 131.07 15.61 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.123 -1.222 . . . . 0.0 109.719 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 63' ' ' ASP . 10.8 m -105.31 126.92 52.65 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 109.441 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.14 -171.77 3.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.05 -36.12 64.34 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -59.2 -37.53 77.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.866 -1.146 . . . . 0.0 109.288 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -73.78 -24.99 59.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.282 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 10.2 t80 -76.32 -41.15 49.47 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.17 -26.74 67.56 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.639 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.31 42.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.368 -1.457 . . . . 0.0 110.02 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -64.1 -32.63 74.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.556 -1.34 . . . . 0.0 109.354 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.535 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -66.94 -35.65 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 109.23 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 p -71.51 -55.48 7.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.145 -0.972 . . . . 0.0 110.125 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.05 48.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 110.475 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.0 -42.78 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.076 -1.015 . . . . 0.0 109.875 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -68.64 -42.44 78.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.909 -1.119 . . . . 0.0 108.526 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -72.98 -20.4 61.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.525 -0.734 . . . . 0.0 109.742 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.2 51.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.009 -1.057 . . . . 0.0 108.577 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 21.3 m -74.37 143.57 44.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.583 -0.698 . . . . 0.0 109.257 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' PHE . 10.7 m-70 -55.71 -169.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.208 -0.932 . . . . 0.0 109.069 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -46.68 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.087 -1.008 . . . . 0.0 109.774 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -59.61 -24.12 63.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.0 109.073 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -50.67 -30.45 13.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 109.079 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -89.47 56.83 3.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.345 -0.847 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -61.38 150.3 35.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.929 . . . . 0.0 109.372 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 6.4 mp0 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.499 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 26.2 ttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p -62.63 172.06 1.78 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.171 -0.956 . . . . 0.0 108.937 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.1 -34.51 78.21 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.414 HD23 ' O ' ' B' ' 3' ' ' LEU . 3.4 tt -57.53 -52.91 63.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' B' ' 0' ' ' MET . 33.6 mt-10 -53.13 -47.04 68.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.948 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.68 -44.57 38.02 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.948 0.88 . . . . 0.0 109.341 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.77 -29.49 50.99 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.43 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -62.88 -47.08 84.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.647 -1.283 . . . . 0.0 108.575 179.561 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.02 -35.97 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.557 -0.714 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.83 76.24 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.877 -1.139 . . . . 0.0 109.22 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.87 -55.79 20.54 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.294 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.02 -43.08 67.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.919 -0.488 . . . . 0.0 110.389 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.794 -1.191 . . . . 0.0 110.569 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.67 -36.09 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.461 -1.399 . . . . 0.0 108.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -57.73 -31.85 66.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.001 -1.062 . . . . 0.0 108.346 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.09 -30.32 43.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 13.3 tm0? -54.81 -45.32 74.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.472 -0.767 . . . . 0.0 110.075 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 24.1 m-85 -74.98 -41.18 60.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 109.339 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.2 p -97.25 57.57 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 109.54 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.52 -11.29 8.05 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.11 -29.71 69.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.982 . . . . 0.0 108.778 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 23' ' ' ASP . 7.8 pt-20 -147.86 -45.78 0.16 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.572 -1.33 . . . . 0.0 109.977 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.75 7.37 0.28 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' B' ' 21' ' ' GLU . 57.7 t0 -49.31 -61.89 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 108.274 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.25 -178.49 5.65 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 1.0 OUTLIER -129.19 48.92 2.3 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.5 145.8 51.92 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.844 -0.535 . . . . 0.0 109.76 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -124.71 142.49 51.36 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.763 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.402 ' H ' HD23 ' B' ' 27' ' ' LEU . 85.6 mttt -94.67 159.01 15.26 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.088 -1.008 . . . . 0.0 109.906 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -63.07 -37.93 89.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.379 -0.826 . . . . 0.0 110.258 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.14 -43.6 95.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.95 . . . . 0.0 111.346 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -78.23 -33.49 49.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.989 -1.07 . . . . 0.0 109.125 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.06 -43.27 92.82 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.44 -56.45 13.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.627 -1.296 . . . . 0.0 108.743 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.68 -33.95 7.51 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.488 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.89 -46.79 70.67 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.849 -1.157 . . . . 0.0 109.442 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.26 -35.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.903 -1.123 . . . . 0.0 109.751 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -67.99 -26.87 66.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 112.192 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.68 -18.83 13.73 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.993 -1.067 . . . . 0.0 111.654 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 40' ' ' LEU . 11.0 mm-40 -102.38 -26.1 13.4 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.774 -1.204 . . . . 0.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.422 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.3 mp -112.76 24.04 12.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.22 -0.925 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -72.89 -26.0 61.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.495 -0.753 . . . . 0.0 109.718 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.96 -50.33 20.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.086 -1.009 . . . . 0.0 109.975 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.462 ' C ' ' N ' ' B' ' 45' ' ' GLU . 79.6 m-85 -64.28 -25.56 68.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.444 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -47.58 -16.83 0.07 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' B' ' 43' ' ' PHE . 54.3 tt0 -82.97 -42.27 17.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 110.109 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.501 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 23.8 mt-10 -85.69 58.1 4.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.265 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.43 104.27 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.47 -0.769 . . . . 0.0 109.0 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.91 -44.63 7.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.175 -0.953 . . . . 0.0 109.461 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 51' ' ' GLU . 16.6 tp10 -87.53 66.06 8.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.105 -0.997 . . . . 0.0 109.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -45.24 -21.09 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.664 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 49' ' ' GLU . 20.4 mt-10 -74.03 -24.71 59.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 111.023 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.74 -49.84 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.336 -1.478 . . . . 0.0 107.979 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.12 -33.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.019 -1.051 . . . . 0.0 108.519 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.38 -45.8 90.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.489 -0.757 . . . . 0.0 109.448 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -68.46 -27.22 65.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 0.0 109.638 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.15 -56.17 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.657 -1.277 . . . . 0.0 107.58 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -29.16 20.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.462 -0.774 . . . . 0.0 109.109 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.19 -38.62 16.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.0 109.161 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.3 m -66.71 -42.24 86.67 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.74 -57.61 6.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 108.247 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.73 -19.49 0.97 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.244 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -101.25 43.05 1.08 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.369 1.081 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' B' ' 65' ' ' ASP . 40.1 t0 -44.18 -32.72 1.32 Allowed 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.064 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.1 -10.7 0.01 OUTLIER Glycine 0 N--CA 1.494 2.561 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.713 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' B' ' 63' ' ' ASP . 1.1 p30 -105.96 -31.61 8.69 Favored 'General case' 0 N--CA 1.51 2.566 0 CA-C-N 119.237 1.518 . . . . 0.0 111.973 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -24.47 26.78 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 119.872 -1.768 . . . . 0.0 109.216 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.69 130.99 15.58 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.127 -1.219 . . . . 0.0 109.702 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.439 ' SG ' ' CG ' ' B' ' 63' ' ' ASP . 10.8 m -105.31 126.95 52.67 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.12 -0.988 . . . . 0.0 109.454 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.17 -171.74 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.253 -0.904 . . . . 0.0 110.453 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.09 -36.06 64.24 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.26 -37.47 77.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.843 -1.161 . . . . 0.0 109.282 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -73.8 -25.03 59.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.061 -1.025 . . . . 0.0 110.253 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 10.2 t80 -76.36 -41.04 49.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.25 -26.69 67.48 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.354 -1.466 . . . . 0.0 108.649 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.06 -45.24 42.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.346 -1.471 . . . . 0.0 110.028 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.1 -32.68 74.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.579 -1.326 . . . . 0.0 109.321 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.547 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.2 t -66.89 -35.7 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.244 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 p -71.46 -55.54 7.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.143 -0.973 . . . . 0.0 110.161 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.03 48.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.14 -0.975 . . . . 0.0 110.524 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.98 -42.8 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.076 -1.015 . . . . 0.0 109.863 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.9 m -68.71 -42.37 77.79 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.899 -1.125 . . . . 0.0 108.53 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -72.99 -20.43 61.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.538 -0.726 . . . . 0.0 109.731 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.4 -30.23 51.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.068 -1.02 . . . . 0.0 108.557 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 21.2 m -74.34 143.51 44.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.605 -0.685 . . . . 0.0 109.322 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' B' ' 87' ' ' PHE . 10.6 m-70 -55.68 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.167 -0.958 . . . . 0.0 109.024 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -46.69 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 0.0 109.746 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' HIS . 0.9 OUTLIER -59.61 -24.03 63.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.192 -0.943 . . . . 0.0 109.111 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -50.73 -30.46 13.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.141 -0.975 . . . . 0.0 109.076 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -89.46 56.75 3.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.391 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 94.3 m-70 -61.29 150.26 35.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.385 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 6.4 mp0 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.056 -0.974 . . . . 0.0 109.369 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.606 ' H1 ' ' CE1' ' B' ' 42' ' ' HIS . 8.8 ptt? . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 54.2 p -65.1 170.38 4.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.41 -33.39 67.82 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -63.41 -49.97 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.863 . . . . 0.0 109.8 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -52.82 -48.2 67.12 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.855 -1.153 . . . . 0.0 109.086 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.59 -43.19 46.14 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.651 0.739 . . . . 0.0 109.724 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.22 -31.02 49.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.758 -0.589 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.37 -47.74 82.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.632 -1.292 . . . . 0.0 107.855 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.76 -37.26 77.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.525 -0.734 . . . . 0.0 109.115 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.09 79.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.282 -0.886 . . . . 0.0 108.704 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.25 -47.24 24.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 108.853 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.7 -43.37 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.89 -50.5 34.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.559 0.695 . . . . 0.0 110.045 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -76.59 -33.9 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.6 -0.688 . . . . 0.0 111.106 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.45 -34.56 75.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.27 -1.519 . . . . 0.0 108.894 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.09 -32.45 33.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.444 -0.785 . . . . 0.0 110.067 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -54.09 -45.87 71.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.39 -47.81 53.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.019 -1.051 . . . . 0.0 109.234 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.3 p -100.07 60.95 1.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.37 -0.831 . . . . 0.0 110.045 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.01 -13.12 5.57 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -66.07 -29.55 69.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -1.044 . . . . 0.0 109.01 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.5 pt-20 -147.6 -45.7 0.17 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.611 -1.306 . . . . 0.0 109.504 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.38 18.02 0.09 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.9 m-20 -48.16 -53.95 15.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.15 -1.206 . . . . 0.0 108.302 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.73 -179.96 5.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -132.84 45.59 2.72 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -137.47 150.14 47.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.609 -0.682 . . . . 0.0 109.427 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.12 142.18 47.7 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.316 -0.865 . . . . 0.0 108.917 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -93.27 149.51 21.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.102 -0.999 . . . . 0.0 109.219 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -54.77 -38.67 67.51 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.755 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -61.8 -45.16 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 110.547 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -80.33 -36.71 33.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.933 -1.104 . . . . 0.0 108.678 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.71 -43.2 94.21 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.76 -55.66 21.21 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.705 -1.247 . . . . 0.0 108.757 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.91 -35.53 10.71 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.464 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.19 -38.86 86.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.963 -1.086 . . . . 0.0 109.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -59.85 -33.94 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.661 -1.274 . . . . 0.0 109.601 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.79 -55.68 15.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.409 -0.807 . . . . 0.0 111.993 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.82 5.52 18.49 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.046 -1.034 . . . . 0.0 111.867 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 40' ' ' LEU . 78.0 mm-40 -122.49 -26.84 4.51 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.988 -1.07 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 39' ' ' GLU . 6.7 mp -118.53 23.57 11.43 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.01 -28.08 63.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 109.565 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.55 ' CE1' ' H1 ' ' B' ' 0' ' ' MET . 15.6 m80 -73.88 -49.72 23.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.0 109.464 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.21 -18.67 64.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.93 . . . . 0.0 109.401 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -48.27 -51.55 25.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 110.294 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.43 -29.88 64.53 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.193 -0.942 . . . . 0.0 109.697 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.84 59.83 3.76 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.273 -0.892 . . . . 0.0 110.726 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.0 mt -124.17 115.09 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.377 -0.827 . . . . 0.0 108.796 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.67 -47.65 6.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.045 -1.034 . . . . 0.0 109.098 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.78 106.87 17.99 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.347 -0.845 . . . . 0.0 109.265 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.23 -23.5 35.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.01 -22.81 59.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.34 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -75.57 -50.24 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 120.62 -1.3 . . . . 0.0 107.946 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.33 -33.32 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.946 -1.096 . . . . 0.0 108.853 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.14 -44.34 95.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.623 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.0 -26.55 65.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.841 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.21 -55.76 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.75 -1.219 . . . . 0.0 108.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.74 -25.15 17.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.375 -0.828 . . . . 0.0 110.293 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.82 -34.13 21.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.8 -1.188 . . . . 0.0 109.23 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.0 p -67.84 -48.5 66.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.797 -1.189 . . . . 0.0 107.926 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.3 mt -60.13 -57.67 11.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.645 -1.284 . . . . 0.0 108.474 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.61 -23.98 2.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.018 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -101.07 41.17 1.2 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.308 1.052 . . . . 0.0 108.847 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 65' ' ' ASP . 47.5 t0 -43.98 -41.21 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.142 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 -8.32 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.816 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 63' ' ' ASP . 91.6 m-20 -108.56 -8.7 15.45 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-N 119.216 1.508 . . . . 0.0 112.471 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.42 -28.63 2.66 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 119.733 -1.854 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.24 132.89 15.83 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.914 -1.345 . . . . 0.0 110.53 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.2 127.34 51.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.279 -0.888 . . . . 0.0 109.045 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 44.5 t0 -84.58 -174.5 5.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.219 -0.925 . . . . 0.0 109.893 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 23.6 t80 -74.52 -32.56 62.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.352 -0.842 . . . . 0.0 109.068 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -56.98 -37.65 71.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.905 -1.122 . . . . 0.0 108.733 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.48 -24.89 61.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 77' ' ' VAL . 47.8 t80 -76.6 -39.52 52.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.099 -1.0 . . . . 0.0 109.134 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.74 -33.53 72.58 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.492 -1.38 . . . . 0.0 109.006 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.16 4.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.208 -1.558 . . . . 0.0 110.368 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.07 -33.92 65.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.687 -1.258 . . . . 0.0 109.158 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 73' ' ' PHE . 23.7 t -64.66 -35.26 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 108.811 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.6 p -68.16 -52.38 35.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 0.0 109.461 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.14 -41.54 49.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 0.0 110.324 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.41 -50.58 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.3 m -57.15 -43.9 82.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.417 -0.802 . . . . 0.0 109.786 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -59.88 -49.82 76.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.543 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.35 -14.23 0.71 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.881 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 25.1 m -77.52 -12.12 59.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.031 -1.043 . . . . 0.0 109.396 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' C ' ' N ' ' A' ' 87' ' ' PHE . 54.3 m80 50.48 -162.95 0.05 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 54.37 10.48 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 109.599 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' N ' ' C ' ' A' ' 85' ' ' HIS . 6.1 t80 -61.32 -55.1 35.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.152 -0.968 . . . . 0.0 108.925 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -88.49 -33.01 17.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.363 -0.835 . . . . 0.0 108.898 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . 54.2 mm-40 -99.81 60.43 1.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.408 -0.807 . . . . 0.0 109.239 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.42 66.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 109.237 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' GLU . 37.1 tp10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.923 -1.036 . . . . 0.0 109.524 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.55 ' H1 ' ' CE1' ' A' ' 42' ' ' HIS . 8.8 ptt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.2 p -65.18 170.37 4.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.239 -0.913 . . . . 0.0 109.224 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.32 -33.46 67.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.183 -0.948 . . . . 0.0 109.432 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.496 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.1 tt -63.44 -49.89 71.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.814 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -48.16 67.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.838 -1.164 . . . . 0.0 109.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.66 -43.18 46.86 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.701 0.762 . . . . 0.0 109.715 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.17 -31.07 49.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.662 -0.649 . . . . 0.0 110.52 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.36 -47.73 82.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.689 -1.257 . . . . 0.0 107.839 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.8 -37.2 77.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.507 -0.745 . . . . 0.0 109.123 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.03 79.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 108.694 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.3 -47.23 25.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 0.0 108.86 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.71 -43.33 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.88 -50.49 34.68 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.569 0.699 . . . . 0.0 110.055 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.64 -33.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.594 -0.692 . . . . 0.0 111.09 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.54 -34.54 75.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.258 -1.526 . . . . 0.0 108.824 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.12 -32.43 33.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 110.073 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -54.06 -45.87 71.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.761 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.43 -47.88 53.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -100.0 60.97 1.09 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.416 -0.803 . . . . 0.0 110.065 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.02 -13.02 5.6 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -66.13 -29.62 69.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.385 -1.067 . . . . 0.0 108.961 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 23' ' ' ASP . 15.6 pt-20 -147.56 -45.74 0.17 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.607 -1.308 . . . . 0.0 109.513 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.51 18.0 0.1 OUTLIER Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.9 m-20 -48.24 -53.88 15.53 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.157 -1.202 . . . . 0.0 108.296 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.67 -179.97 5.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.87 45.58 2.72 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -137.46 150.15 47.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.631 . . . . 0.0 109.429 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.16 142.18 47.72 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.365 -0.835 . . . . 0.0 108.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -93.21 149.49 21.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.129 -0.982 . . . . 0.0 109.275 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.541 ' H ' ' CD ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -54.76 -38.71 67.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.083 -1.01 . . . . 0.0 109.733 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.9 p -61.84 -45.06 95.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 110.565 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -80.37 -36.67 33.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.006 -1.059 . . . . 0.0 108.657 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.79 -43.15 94.56 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.7 -55.74 20.5 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.746 -1.222 . . . . 0.0 108.78 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.89 -35.55 10.66 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.488 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.13 -38.9 86.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.925 -1.109 . . . . 0.0 109.878 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -59.83 -33.89 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.685 -1.259 . . . . 0.0 109.628 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -65.84 -55.69 15.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.964 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.76 5.5 18.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.032 -1.042 . . . . 0.0 111.87 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.537 ' O ' HD12 ' B' ' 40' ' ' LEU . 78.0 mm-40 -122.51 -26.91 4.49 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.955 -1.091 . . . . 0.0 110.704 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD12 ' O ' ' B' ' 39' ' ' GLU . 6.7 mp -118.51 23.64 11.39 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.238 -0.914 . . . . 0.0 109.225 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -27.99 63.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 0.0 109.582 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.606 ' CE1' ' H1 ' ' A' ' 0' ' ' MET . 15.7 m80 -73.88 -49.77 23.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.506 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -64.12 -18.67 64.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.32 -51.55 25.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.796 . . . . 0.0 110.275 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.39 -29.92 64.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.231 -0.918 . . . . 0.0 109.723 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.82 59.82 3.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 110.776 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.14 115.05 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.359 -0.838 . . . . 0.0 108.861 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.59 -47.63 7.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.976 -1.077 . . . . 0.0 109.156 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.81 106.87 18.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.361 -0.837 . . . . 0.0 109.247 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.22 -23.47 35.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.663 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.06 -22.78 59.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.363 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -75.59 -50.28 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.671 -1.268 . . . . 0.0 107.959 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.3 -33.29 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.976 -1.078 . . . . 0.0 108.893 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -60.1 -44.29 94.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.697 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.06 -26.52 65.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 109.824 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.24 -55.75 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.718 -1.239 . . . . 0.0 108.405 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.75 -25.12 17.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.84 -34.1 21.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.765 -1.21 . . . . 0.0 109.289 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -67.82 -48.59 65.81 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.76 -1.212 . . . . 0.0 107.939 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.1 -57.64 11.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.689 -1.257 . . . . 0.0 108.483 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.6 -23.95 2.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.116 -0.99 . . . . 0.0 108.979 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.97 41.1 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.314 1.054 . . . . 0.0 109.156 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.588 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.7 t0 -44.06 -41.11 5.28 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.7 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.06 -8.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.911 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.588 ' H ' ' C ' ' B' ' 63' ' ' ASP . 91.5 m-20 -108.45 -8.69 15.52 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 119.11 1.455 . . . . 0.0 112.626 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.45 -28.81 2.64 Favored Glycine 0 N--CA 1.492 2.421 0 O-C-N 119.66 -1.9 . . . . 0.0 110.355 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.14 132.84 15.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.91 -1.347 . . . . 0.0 110.479 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.22 127.4 51.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.234 -0.916 . . . . 0.0 109.074 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 44.4 t0 -84.56 -174.49 5.3 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.191 -0.943 . . . . 0.0 109.857 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.466 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 23.4 t80 -74.56 -32.57 62.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.0 109.072 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -56.95 -37.67 71.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.006 -1.058 . . . . 0.0 108.787 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.4 -25.05 61.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.57 ' O ' HG23 ' B' ' 77' ' ' VAL . 47.6 t80 -76.57 -39.45 52.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 109.148 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.539 -1.351 . . . . 0.0 109.027 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.85 -56.18 4.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.18 -1.575 . . . . 0.0 110.363 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -55.98 -33.99 65.32 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 109.138 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 73' ' ' PHE . 23.5 t -64.63 -35.28 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 108.75 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.8 p -68.14 -52.44 34.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.0 109.455 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.1 -41.55 48.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.0 110.321 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -73.47 -50.5 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.682 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 35.8 m -57.18 -43.89 83.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 0.0 109.735 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.9 p -59.83 -49.9 75.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.152 -0.967 . . . . 0.0 109.525 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.31 -14.28 0.7 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.878 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 m -77.49 -12.12 59.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.102 -0.999 . . . . 0.0 109.421 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' B' ' 87' ' ' PHE . 54.4 m80 50.52 -162.93 0.06 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 54.34 10.46 0.32 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.892 . . . . 0.0 109.618 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' B' ' 85' ' ' HIS . 6.1 t80 -61.28 -55.16 35.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.162 -0.961 . . . . 0.0 108.885 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.45 -33.0 18.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.322 -0.862 . . . . 0.0 108.922 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 91' ' ' GLU . 54.1 mm-40 -99.76 60.41 1.11 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.456 -0.778 . . . . 0.0 109.163 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -66.48 66.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.199 -0.938 . . . . 0.0 109.19 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 89' ' ' GLU . 37.0 tp10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.462 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p -62.28 172.6 1.42 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.069 -1.019 . . . . 0.0 109.102 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 20' ' ' ARG . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 76' ' ' PHE . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 60' ' ' LEU . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 43' ' ' PHE . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.1 -26.4 37.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' ND1' ' A' ' 85' ' ' HIS . 42.7 t -75.0 151.87 38.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.043 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' ND1' ' SG ' ' A' ' 84' ' ' CYS . 34.8 p-80 -49.86 177.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.23 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.296 -0.877 . . . . 0.0 109.787 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 20.0 p90 -61.51 -24.45 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.696 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 54.4 m-85 -50.77 -38.92 50.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.094 -1.004 . . . . 0.0 109.013 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 91' ' ' GLU . 5.1 mp0 -84.98 67.31 10.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.81 . . . . 0.0 109.1 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.18 35.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p -62.34 172.56 1.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.045 -1.034 . . . . 0.0 109.018 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.478 HD23 ' O ' ' B' ' 3' ' ' LEU . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.461 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.468 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 32' ' ' LEU . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CE2' HG23 ' B' ' 81' ' ' THR . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.485 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' B' ' 76' ' ' PHE . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.587 ' O ' HG23 ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' B' ' 60' ' ' LEU . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.45 HG23 ' CE2' ' B' ' 43' ' ' PHE . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.14 -26.34 37.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.504 ' SG ' ' ND1' ' B' ' 85' ' ' HIS . 42.5 t -75.15 151.89 38.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.333 -0.855 . . . . 0.0 108.996 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' ND1' ' SG ' ' B' ' 84' ' ' CYS . 34.9 p-80 -49.9 177.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.113 -0.992 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.24 100.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.234 -0.916 . . . . 0.0 109.802 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 20.2 p90 -61.5 -24.42 66.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 54.2 m-85 -50.81 -38.85 50.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.104 -0.997 . . . . 0.0 109.03 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' B' ' 91' ' ' GLU . 5.1 mp0 -85.04 67.32 10.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.431 -0.793 . . . . 0.0 109.087 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -75.19 35.38 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' B' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.401 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 8.9 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.7 -34.24 62.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 0.0 109.477 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.2 tt -63.1 -48.51 78.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.739 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.421 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -51.58 -47.02 63.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.961 -1.087 . . . . 0.0 109.067 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.16 -43.35 41.79 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.802 0.81 . . . . 0.0 109.433 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.12 -31.05 49.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.828 -0.545 . . . . 0.0 110.385 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 tpt -61.18 -47.62 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.716 -1.24 . . . . 0.0 108.262 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.97 -35.6 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.356 -0.84 . . . . 0.0 109.041 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.52 -47.11 82.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.879 . . . . 0.0 108.94 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.14 -47.84 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.982 . . . . 0.0 108.642 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.85 -44.35 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.74 -50.19 45.24 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.405 0.621 . . . . 0.0 110.192 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.64 -35.67 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.448 -0.783 . . . . 0.0 111.177 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.86 -33.9 76.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.245 -1.534 . . . . 0.0 108.645 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -77.36 -33.09 55.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.639 -0.663 . . . . 0.0 110.047 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.43 -44.54 72.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 109.961 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.43 -44.17 65.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.979 -1.076 . . . . 0.0 109.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.6 61.0 1.34 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.303 -0.873 . . . . 0.0 110.253 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.57 -10.37 9.45 Favored Glycine 0 N--CA 1.502 3.081 0 N-CA-C 107.69 -2.164 . . . . 0.0 107.69 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -65.32 -32.76 74.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.573 -0.957 . . . . 0.0 109.363 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 23.4 mt-10 -146.49 -45.19 0.19 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.604 -1.31 . . . . 0.0 110.184 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.18 11.0 0.19 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.2 m-20 -49.17 -57.18 7.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.067 -1.255 . . . . 0.0 108.545 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.38 -178.23 5.3 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -130.31 46.55 2.64 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.54 149.72 52.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.834 -0.541 . . . . 0.0 109.659 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -123.64 140.0 53.43 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.39 153.92 20.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.971 -1.08 . . . . 0.0 109.658 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 30' ' ' SER . 37.6 pttt -62.7 -42.38 99.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.125 -0.984 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.48 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 23.1 t -55.96 -39.59 71.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.0 110.358 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.13 -33.9 26.18 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.976 -1.078 . . . . 0.0 108.45 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.2 tt -60.19 -48.13 83.02 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.17 -55.94 17.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.513 -1.367 . . . . 0.0 108.688 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.46 -35.87 9.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 109.318 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -37.85 89.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.866 -1.146 . . . . 0.0 108.276 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.01 -35.03 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.854 -1.154 . . . . 0.0 109.209 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.95 -24.97 66.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.387 -0.821 . . . . 0.0 111.31 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 40.4 t-20 -118.31 4.4 11.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.228 -0.92 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' O ' HD22 ' A' ' 40' ' ' LEU . 6.1 tp10 -123.95 -27.02 3.97 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.188 -0.945 . . . . 0.0 110.525 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 39' ' ' GLU . 3.9 mm? -117.58 13.47 14.32 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.346 -0.846 . . . . 0.0 109.168 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.33 -25.98 61.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -74.2 -50.1 20.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 110.249 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.32 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 109.979 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 47' ' ' ILE . 32.7 tp -48.48 -28.37 3.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.279 -0.888 . . . . 0.0 109.966 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -74.56 -38.26 62.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.931 -1.105 . . . . 0.0 110.027 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -90.48 55.59 3.07 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.219 -0.926 . . . . 0.0 110.857 -178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 48' ' ' LYS . 52.7 mt -128.8 162.98 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 47' ' ' ILE . 74.8 tttt -143.05 -46.26 0.3 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.803 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.68 60.23 0.34 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.023 -1.048 . . . . 0.0 109.171 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.8 mm100 -44.82 -27.88 0.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.21 -23.33 61.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.34 -48.05 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.67 -35.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 120.896 -1.127 . . . . 0.0 108.945 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.84 -44.54 82.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.88 -26.47 63.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.199 -0.938 . . . . 0.0 109.748 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.7 -57.55 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 120.677 -1.264 . . . . 0.0 108.207 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.58 -27.05 15.21 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.303 -0.873 . . . . 0.0 109.758 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.25 -32.8 22.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.947 -1.096 . . . . 0.0 108.634 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.0 m -69.09 -45.14 71.02 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 76' ' ' PHE . 3.2 mm? -58.86 -58.65 7.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.561 -1.337 . . . . 0.0 108.184 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.93 -23.46 5.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 0.0 109.326 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -101.91 39.92 1.4 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.217 1.008 . . . . 0.0 109.423 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.574 ' C ' ' H ' ' A' ' 65' ' ' ASP . 15.5 t0 -44.79 -39.19 5.05 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.626 0.727 . . . . 0.0 109.978 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 -7.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.576 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 63' ' ' ASP . 14.3 t70 -107.56 -8.41 16.2 Favored 'General case' 0 N--CA 1.512 2.663 0 CA-C-N 119.081 1.44 . . . . 0.0 112.303 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 -28.48 2.55 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 119.714 -1.867 . . . . 0.0 110.449 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -151.3 133.48 15.25 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.898 -1.354 . . . . 0.0 110.226 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.3 m -104.77 126.87 52.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.287 -0.883 . . . . 0.0 109.037 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.37 5.09 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.57 -32.66 64.27 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.82 -36.61 77.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 108.914 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.58 -26.31 61.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -0.955 . . . . 0.0 109.787 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 77' ' ' VAL . 80.9 t80 -75.68 -39.47 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.282 -0.886 . . . . 0.0 109.193 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.84 -28.65 67.74 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.425 -1.422 . . . . 0.0 108.634 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.91 -54.83 6.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.251 -1.531 . . . . 0.0 110.232 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 60' ' ' LEU . 37.2 m-85 -56.95 -32.99 66.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.609 -1.307 . . . . 0.0 109.385 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' PHE . 49.5 t -68.66 -34.76 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.6 p -70.29 -52.98 18.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 109.844 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' ALA . 13.8 mtt -51.46 -50.99 58.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.022 -1.049 . . . . 0.0 109.805 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.6 t -59.62 -42.4 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -69.61 -47.97 61.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.983 . . . . 0.0 108.888 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -72.82 -17.03 61.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 109.832 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.02 . . . . 0.0 108.799 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 4' ' ' GLU . 8.8 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 0.7 OUTLIER -54.66 -34.24 61.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.461 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.2 tt -63.1 -48.46 78.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 0.0 109.742 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -51.64 -47.01 63.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.986 -1.071 . . . . 0.0 109.031 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.05 -43.46 40.85 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.829 0.823 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.06 -31.09 50.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.801 -0.562 . . . . 0.0 110.403 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 tpt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.735 -1.228 . . . . 0.0 108.19 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.96 -35.52 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.398 -0.814 . . . . 0.0 109.061 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.13 82.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 108.92 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.07 -47.88 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -44.38 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.73 -50.25 44.85 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.59 -35.6 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 111.212 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.9 -33.95 76.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.237 -1.539 . . . . 0.0 108.58 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -77.36 -33.04 55.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.605 -0.684 . . . . 0.0 110.085 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.54 72.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 109.966 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.44 -44.18 65.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.088 . . . . 0.0 109.202 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.57 60.98 1.34 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.335 -0.853 . . . . 0.0 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.62 -10.31 9.46 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 107.708 -2.157 . . . . 0.0 107.708 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -65.4 -32.72 74.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.561 -0.964 . . . . 0.0 109.362 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 23' ' ' ASP . 23.3 mt-10 -146.46 -45.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.611 -1.306 . . . . 0.0 110.229 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.23 10.92 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.2 m-20 -49.12 -57.27 6.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.052 -1.263 . . . . 0.0 108.469 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.34 -178.19 5.3 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -130.34 46.53 2.64 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.6 149.7 52.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.525 . . . . 0.0 109.683 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 tp -123.6 140.0 53.44 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.44 153.95 20.76 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.944 -1.097 . . . . 0.0 109.62 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' B' ' 30' ' ' SER . 37.5 pttt -62.67 -42.44 99.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.097 -1.002 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 23.0 t -55.99 -39.58 72.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.361 -0.837 . . . . 0.0 110.317 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -83.18 -33.82 26.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.013 -1.054 . . . . 0.0 108.445 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.526 ' O ' HD23 ' B' ' 32' ' ' LEU . 5.2 tt -60.24 -48.16 82.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.15 -55.84 18.39 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.524 -1.36 . . . . 0.0 108.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.61 -35.8 9.82 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 109.279 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.95 -37.87 89.08 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.902 -1.124 . . . . 0.0 108.32 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 mt -63.98 -35.0 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.864 -1.148 . . . . 0.0 109.251 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.96 -24.99 66.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.781 . . . . 0.0 111.322 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' B' ' 38' ' ' ASN . 40.2 t-20 -118.26 4.43 11.91 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.205 -0.935 . . . . 0.0 110.552 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.436 ' O ' HD22 ' B' ' 40' ' ' LEU . 6.1 tp10 -124.0 -27.01 3.95 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.192 -0.942 . . . . 0.0 110.492 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.436 HD22 ' O ' ' B' ' 39' ' ' GLU . 3.9 mm? -117.58 13.5 14.33 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.361 -0.837 . . . . 0.0 109.147 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.43 -25.93 61.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 110.176 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -74.16 -50.15 20.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.096 -1.003 . . . . 0.0 110.268 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -66.25 -19.92 65.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.965 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' B' ' 47' ' ' ILE . 32.8 tp -48.44 -28.38 3.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 0.0 109.994 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -74.51 -38.23 62.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.915 -1.116 . . . . 0.0 110.11 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -90.57 55.68 3.07 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.188 -0.945 . . . . 0.0 110.822 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.502 HG22 ' N ' ' B' ' 48' ' ' LYS . 52.1 mt -128.91 162.94 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.502 ' N ' HG22 ' B' ' 47' ' ' ILE . 74.8 tttt -143.01 -46.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.2 -0.938 . . . . 0.0 109.814 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.75 60.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.0 -1.062 . . . . 0.0 109.141 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' B' ' 48' ' ' LYS . 20.8 mm100 -44.87 -27.88 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.367 -0.833 . . . . 0.0 110.506 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.19 -23.39 61.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.089 -1.007 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -73.32 -48.0 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 107.574 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.66 -35.82 74.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.996 -1.065 . . . . 0.0 108.91 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.82 -44.5 82.08 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.502 -0.749 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.96 -26.39 63.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.19 -0.944 . . . . 0.0 109.746 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.74 -57.53 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.663 -1.273 . . . . 0.0 108.184 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.62 -27.01 15.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.732 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.34 -32.84 22.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.919 -1.113 . . . . 0.0 108.57 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.0 m -69.02 -45.16 71.21 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' B' ' 76' ' ' PHE . 3.2 mm? -58.86 -58.64 7.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.564 -1.335 . . . . 0.0 108.201 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.84 -23.48 4.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.35 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -101.95 40.03 1.39 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.28 1.038 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' B' ' 65' ' ' ASP . 15.2 t0 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.275 -2.641 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.491 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.81 -7.79 0.01 OUTLIER Glycine 0 N--CA 1.49 2.266 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.684 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' B' ' 63' ' ' ASP . 14.3 t70 -107.58 -8.35 16.2 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.794 -1.415 . . . . 0.0 112.368 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.11 -28.58 2.56 Favored Glycine 0 N--CA 1.492 2.394 0 O-C-N 119.664 -1.898 . . . . 0.0 110.395 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -151.28 133.43 15.24 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.908 -1.348 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 80.4 m -104.74 126.86 52.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.295 -0.878 . . . . 0.0 109.01 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.44 5.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.18 -0.95 . . . . 0.0 110.139 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.51 -32.7 64.39 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.78 -36.69 77.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.866 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.56 -26.34 61.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.757 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.484 ' O ' HG23 ' B' ' 77' ' ' VAL . 80.9 t80 -75.6 -39.57 57.78 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.311 -0.868 . . . . 0.0 109.195 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.83 -28.68 67.78 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.399 -1.438 . . . . 0.0 108.618 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.83 -54.86 6.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.351 -1.468 . . . . 0.0 110.28 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' B' ' 60' ' ' LEU . 37.6 m-85 -56.92 -32.99 66.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.504 -1.373 . . . . 0.0 109.362 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 73' ' ' PHE . 49.2 t -68.68 -34.8 66.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.264 -0.897 . . . . 0.0 109.055 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.6 p -70.25 -53.01 18.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.896 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 13.9 mtt -51.36 -51.1 57.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.003 -1.061 . . . . 0.0 109.789 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.58 -42.38 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 109.542 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -48.0 61.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 108.859 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -72.87 -16.98 61.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.811 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.035 . . . . 0.0 108.847 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 20' ' ' ARG . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 32' ' ' LEU . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.485 HE21 ' CG ' ' A' ' 54' ' ' ASP . 45.7 tp60 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CG ' HE21 ' A' ' 50' ' ' GLN . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 76' ' ' PHE . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 60' ' ' LEU . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 43' ' ' PHE . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.478 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.461 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.468 HD12 ' N ' ' B' ' 11' ' ' ILE . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.54 ' O ' HD23 ' B' ' 32' ' ' LEU . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CE2' HG23 ' B' ' 81' ' ' THR . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.484 HE21 ' CG ' ' B' ' 54' ' ' ASP . 45.8 tp60 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.484 ' CG ' HE21 ' B' ' 50' ' ' GLN . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' B' ' 76' ' ' PHE . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.587 ' O ' HG23 ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' B' ' 60' ' ' LEU . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.45 HG23 ' CE2' ' B' ' 43' ' ' PHE . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -62.15 -33.47 74.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.965 . . . . 0.0 109.429 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.7 tt -63.26 -53.23 56.21 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 109.708 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.08 -47.82 65.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.657 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.88 -40.25 42.18 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.795 0.807 . . . . 0.0 109.55 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.13 -27.91 54.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.873 -0.517 . . . . 0.0 110.884 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.66 -46.15 89.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.725 -1.234 . . . . 0.0 108.556 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 8' ' ' VAL . 3.0 t -69.74 -35.46 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.497 -0.752 . . . . 0.0 110.003 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.57 77.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.52 -57.74 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.009 0.909 . . . . 0.0 110.133 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.77 -40.05 41.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.544 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.74 -37.67 76.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.927 -1.108 . . . . 0.0 109.906 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.91 -41.38 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.693 -1.254 . . . . 0.0 108.544 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.78 -34.56 74.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.832 -1.168 . . . . 0.0 108.407 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -76.52 -31.58 57.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.785 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.17 -43.4 67.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.78 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.24 -44.62 64.96 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.077 -1.014 . . . . 0.0 109.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -97.35 58.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.327 -0.858 . . . . 0.0 110.149 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.79 -15.09 6.42 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.059 -2.016 . . . . 0.0 108.059 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -63.28 -32.29 73.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.48 -1.012 . . . . 0.0 109.041 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 51.3 mt-10 -147.29 -44.91 0.17 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.679 -1.263 . . . . 0.0 109.018 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.93 17.39 0.09 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 77.5 m-20 -48.22 -57.21 6.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -1.109 . . . . 0.0 108.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 24' ' ' LYS . 9.9 mptt -92.09 176.57 6.45 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 39.3 p-80 -125.41 50.31 1.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -131.52 146.18 52.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.846 -0.534 . . . . 0.0 109.605 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' CYS . 16.1 tp -122.79 144.31 49.27 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -94.14 152.19 18.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.104 -0.997 . . . . 0.0 110.009 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.4 -38.79 74.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 110.219 179.391 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.405 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 p -60.19 -40.72 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -79.0 -33.61 44.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 0.0 108.738 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.52 -58.28 7.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.671 -1.268 . . . . 0.0 108.744 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.66 -38.47 55.04 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.95 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.48 -37.87 80.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.123 -0.986 . . . . 0.0 109.612 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.74 -33.87 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 108.638 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.56 -55.77 18.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.542 -0.724 . . . . 0.0 111.678 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.74 5.99 12.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.926 -1.108 . . . . 0.0 111.639 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -122.41 -26.8 4.55 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.992 -1.067 . . . . 0.0 110.412 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.53 24.32 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.124 -0.985 . . . . 0.0 109.875 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.0 -26.18 61.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.181 -0.95 . . . . 0.0 109.808 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -73.17 -50.86 20.24 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.973 -1.08 . . . . 0.0 109.745 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.67 -17.17 60.05 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.29 -0.881 . . . . 0.0 109.346 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.77 -35.04 21.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.766 . . . . 0.0 109.793 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.46 -38.0 68.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.866 -1.146 . . . . 0.0 109.956 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -85.56 59.25 5.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.84 109.39 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.28 -0.887 . . . . 0.0 109.288 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.25 -44.98 9.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.164 -0.96 . . . . 0.0 109.233 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 37.8 mp0 -86.41 103.64 15.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.332 -0.855 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.66 -24.1 39.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 0.0 109.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -74.32 -22.94 59.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.826 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.64 -47.84 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.43 . . . . 0.0 107.727 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -63.29 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.939 -1.101 . . . . 0.0 108.931 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.55 -46.05 90.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.382 -0.824 . . . . 0.0 109.536 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' O ' ' OG1' ' A' ' 59' ' ' THR . 69.8 mmtt -69.49 -26.74 64.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.453 -0.78 . . . . 0.0 109.889 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.48 -56.91 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 108.428 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.43 -26.17 40.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 110.343 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.82 -35.07 20.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.882 -1.136 . . . . 0.0 109.32 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.8 m -68.64 -43.78 75.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.685 -1.259 . . . . 0.0 108.271 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.76 -56.99 14.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.792 -1.192 . . . . 0.0 108.264 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.79 -20.78 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 0.0 109.053 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.3 41.62 1.21 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 122.14 0.971 . . . . 0.0 109.356 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' A' ' 65' ' ' ASP . 32.1 t0 -43.38 -32.31 0.82 Allowed 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.83 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.0 -10.4 0.01 OUTLIER Glycine 0 N--CA 1.498 2.786 0 O-C-N 122.01 -0.431 . . . . 0.0 112.5 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.9 p30 -108.75 -31.7 7.61 Favored 'General case' 0 N--CA 1.515 2.824 0 CA-C-N 119.434 1.617 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.86 23.23 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 119.792 -1.818 . . . . 0.0 109.65 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 46.5 mt-10 -147.37 131.26 17.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.124 -1.221 . . . . 0.0 109.509 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . 3.6 m -105.0 126.88 52.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.191 -0.943 . . . . 0.0 109.192 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.65 -174.36 5.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.907 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.52 -32.6 62.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 108.782 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.75 -37.75 74.18 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.963 -1.086 . . . . 0.0 109.02 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.62 61.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.012 -1.055 . . . . 0.0 109.58 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -72.93 -40.58 65.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.059 -1.026 . . . . 0.0 109.056 178.289 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.59 -53.92 16.54 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.198 -1.564 . . . . 0.0 109.435 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.95 -50.17 67.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.173 -1.579 . . . . 0.0 111.218 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.65 -34.37 78.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.659 -1.276 . . . . 0.0 109.839 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 73' ' ' PHE . 19.7 t -67.15 -35.99 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.131 -0.981 . . . . 0.0 108.858 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 p -65.5 -50.42 65.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.099 -1.001 . . . . 0.0 109.286 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.6 mtp -50.82 -38.43 48.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.341 -0.849 . . . . 0.0 110.562 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.0 t -72.19 -39.06 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.99 -1.069 . . . . 0.0 109.783 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.65 -45.68 74.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.047 . . . . 0.0 108.588 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.96 -18.06 61.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.474 -0.766 . . . . 0.0 109.729 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.205 -0.934 . . . . 0.0 109.049 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -62.17 -33.51 74.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.385 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.7 tt -63.25 -53.21 56.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 109.735 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.09 -47.83 65.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.01 -1.056 . . . . 0.0 109.599 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.82 -40.31 41.54 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.807 0.813 . . . . 0.0 109.577 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.08 -27.93 54.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.885 -0.509 . . . . 0.0 110.867 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.61 -46.22 89.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.739 -1.226 . . . . 0.0 108.59 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.69 -35.41 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.468 -0.77 . . . . 0.0 110.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.56 77.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.088 -1.007 . . . . 0.0 109.591 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.5 -57.72 8.27 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.094 0.949 . . . . 0.0 110.137 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt -53.81 -40.1 42.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.73 -37.65 76.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.912 -1.118 . . . . 0.0 109.915 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.9 -41.43 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.748 -1.22 . . . . 0.0 108.508 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -60.78 -34.61 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.796 -1.19 . . . . 0.0 108.371 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.48 -31.6 57.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.804 . . . . 0.0 109.981 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.26 -43.3 67.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.524 -0.735 . . . . 0.0 109.772 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -71.2 -44.74 64.81 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.05 -1.031 . . . . 0.0 109.133 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -97.3 58.51 1.52 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 110.171 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -15.01 6.41 Favored Glycine 0 N--CA 1.503 3.158 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -63.34 -32.21 73.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -1.068 . . . . 0.0 109.059 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 51.3 mt-10 -147.38 -44.82 0.17 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.739 -1.225 . . . . 0.0 108.994 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 44.87 17.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 77.6 m-20 -48.18 -57.29 6.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -1.106 . . . . 0.0 108.139 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' B' ' 24' ' ' LYS . 9.9 mptt -92.06 176.52 6.47 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 39.4 p-80 -125.39 50.4 1.8 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -131.62 146.2 52.08 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' B' ' 68' ' ' CYS . 16.2 tp -122.84 144.22 49.34 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -94.05 152.17 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.559 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.3 -38.89 74.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.252 179.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.42 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 p -60.12 -40.76 90.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.81 . . . . 0.0 110.993 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.92 -33.68 45.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 108.738 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.34 -42.73 99.17 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.58 -58.25 7.85 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.671 -1.268 . . . . 0.0 108.745 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.73 -38.37 54.99 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.998 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.5 -37.84 80.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.091 -1.006 . . . . 0.0 109.674 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.7 -33.93 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.618 -1.301 . . . . 0.0 108.651 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.57 -55.77 18.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.55 -0.719 . . . . 0.0 111.678 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.69 5.99 11.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.985 -1.072 . . . . 0.0 111.692 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -122.46 -26.81 4.53 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.026 -1.046 . . . . 0.0 110.371 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -121.49 24.36 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.136 -0.978 . . . . 0.0 109.896 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.04 -26.18 61.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.202 -0.936 . . . . 0.0 109.81 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -73.13 -50.88 20.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.022 -1.049 . . . . 0.0 109.746 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.73 -17.06 60.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.298 -0.876 . . . . 0.0 109.382 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.56 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.81 -35.11 21.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.749 -179.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.37 -37.97 68.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.844 -1.16 . . . . 0.0 110.03 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -85.54 59.21 5.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.85 109.3 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.2 -45.06 9.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -0.982 . . . . 0.0 109.176 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 37.9 mp0 -86.31 103.69 15.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.288 -0.883 . . . . 0.0 109.229 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.72 -24.17 38.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.942 -1.099 . . . . 0.0 109.518 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -74.31 -22.93 59.04 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 110.769 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -72.66 -47.77 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.421 -1.425 . . . . 0.0 107.821 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.4 t -63.3 -32.76 57.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.005 -1.06 . . . . 0.0 108.916 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.6 -45.96 90.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.349 -0.845 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -69.56 -26.71 64.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 109.861 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 91.2 t -66.52 -56.89 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.735 -1.228 . . . . 0.0 108.434 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.45 -26.19 40.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.792 . . . . 0.0 110.315 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.79 -35.13 20.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.896 -1.128 . . . . 0.0 109.281 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.61 -43.76 75.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.647 -1.283 . . . . 0.0 108.277 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.83 -56.93 15.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.723 -1.236 . . . . 0.0 108.242 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.76 -20.79 1.37 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 0.0 109.015 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -102.34 41.62 1.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 122.235 1.016 . . . . 0.0 109.622 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' B' ' 65' ' ' ASP . 32.3 t0 -43.06 -32.59 0.7 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.455 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -10.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 O-C-N 122.038 -0.413 . . . . 0.0 112.639 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 63' ' ' ASP . 1.9 p30 -108.68 -31.79 7.6 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 119.35 1.575 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.67 -25.93 22.79 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.779 -1.825 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.4 mt-10 -147.3 131.25 17.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.109 -1.23 . . . . 0.0 109.45 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 3.6 m -105.04 126.85 52.52 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.249 -0.907 . . . . 0.0 109.172 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.57 -174.39 5.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.53 -32.55 62.51 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 108.819 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.74 -37.78 74.2 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.923 -1.11 . . . . 0.0 109.025 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.58 61.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.023 -1.048 . . . . 0.0 109.53 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.492 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -72.99 -40.63 65.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.018 -1.052 . . . . 0.0 109.047 178.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.54 -53.92 16.64 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.22 -1.55 . . . . 0.0 109.477 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.88 -50.22 66.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.159 -1.588 . . . . 0.0 111.187 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.73 -34.32 77.92 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.631 -1.293 . . . . 0.0 109.821 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 73' ' ' PHE . 19.7 t -67.16 -35.95 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 0.0 108.908 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 14.1 p -65.53 -50.38 65.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 109.32 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 76.8 mtp -50.85 -38.45 49.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -0.872 . . . . 0.0 110.545 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.06 -39.2 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.953 -1.092 . . . . 0.0 109.791 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.61 -45.71 74.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.949 -1.094 . . . . 0.0 108.598 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.91 -18.0 61.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.537 -0.727 . . . . 0.0 109.777 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 109.064 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -57.36 -34.93 69.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.8 tt -61.7 -48.46 80.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 109.732 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -49.86 -46.4 51.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.246 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.13 -41.1 35.05 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.879 0.847 . . . . 0.0 109.257 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.733 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.42 -32.39 42.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.831 -0.543 . . . . 0.0 110.84 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -46.65 88.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.736 -1.228 . . . . 0.0 108.294 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.578 -0.701 . . . . 0.0 109.549 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -48.59 79.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.282 -0.886 . . . . 0.0 109.292 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.99 -55.56 16.77 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 122.031 0.919 . . . . 0.0 109.932 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -54.74 -41.31 55.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.662 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.03 -36.71 72.47 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.785 -1.197 . . . . 0.0 110.684 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.06 -42.43 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.397 -1.439 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.63 -31.93 62.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.672 -1.268 . . . . 0.0 107.88 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.75 -32.68 52.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.482 -0.761 . . . . 0.0 109.874 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.71 -45.43 70.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.429 -0.794 . . . . 0.0 110.097 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -72.39 -47.18 51.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.0 -1.062 . . . . 0.0 109.492 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.12 59.78 1.17 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 109.92 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.44 -14.11 4.52 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -65.82 -27.49 68.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.273 -1.134 . . . . 0.0 109.004 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.3 tt0 -146.35 -46.12 0.19 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.576 -1.327 . . . . 0.0 109.215 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 19.3 0.13 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.0 t70 -49.3 -55.04 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.077 -1.249 . . . . 0.0 108.174 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.88 163.02 14.54 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.71 45.15 1.26 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.13 152.05 51.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 109.56 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -123.16 140.97 52.47 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -89.4 153.2 21.03 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.961 -1.087 . . . . 0.0 109.545 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -39.62 92.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.1 -1.0 . . . . 0.0 110.066 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.24 -41.11 87.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.423 -0.798 . . . . 0.0 111.184 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.25 -34.7 36.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.008 -1.057 . . . . 0.0 109.1 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.75 -44.27 97.22 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -53.38 -55.51 24.36 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.738 -1.226 . . . . 0.0 109.099 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -47.14 -34.34 6.03 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.709 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.16 -43.83 77.34 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.82 -1.175 . . . . 0.0 109.477 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.03 -38.05 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.728 -1.232 . . . . 0.0 109.373 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.39 -26.77 68.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.44 -0.787 . . . . 0.0 111.253 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -116.06 4.75 13.74 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.23 -0.919 . . . . 0.0 111.09 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 40' ' ' LEU . 6.7 tp10 -120.32 -28.55 5.01 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.064 -1.023 . . . . 0.0 110.514 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.3 mp -118.03 23.63 11.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.357 -0.839 . . . . 0.0 108.816 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.26 -25.71 63.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.579 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.54 -42.93 61.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.163 -0.961 . . . . 0.0 109.381 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -69.89 -23.44 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.52 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.94 -29.38 3.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 0.0 109.663 -179.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.03 -41.13 64.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.871 -1.143 . . . . 0.0 109.954 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.23 59.38 5.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.273 -0.892 . . . . 0.0 110.0 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.53 102.04 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.434 -0.791 . . . . 0.0 109.074 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 29.9 mmtm -87.08 -40.68 14.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 mp0 -85.62 105.81 16.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.295 -0.878 . . . . 0.0 109.199 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 24.9 mp0 -82.96 -28.43 29.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.106 -0.996 . . . . 0.0 109.561 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.49 -22.2 60.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.434 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.09 -50.35 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.697 -1.252 . . . . 0.0 108.238 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.32 -33.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.885 -1.134 . . . . 0.0 109.018 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.16 -42.76 91.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.19 -26.76 64.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.4 -55.56 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 120.681 -1.262 . . . . 0.0 108.329 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.64 -25.33 17.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -85.66 -34.84 21.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.882 -1.136 . . . . 0.0 109.349 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.15 -48.92 66.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 108.137 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.41 -56.72 18.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.633 -1.292 . . . . 0.0 108.257 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.74 -24.7 6.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.234 -0.917 . . . . 0.0 109.199 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.87 39.75 1.35 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 122.26 1.029 . . . . 0.0 109.18 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.9 t70 -45.22 -35.32 3.24 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.59 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.95 -8.84 0.01 OUTLIER Glycine 0 N--CA 1.497 2.718 0 CA-C-O 119.759 -0.467 . . . . 0.0 112.649 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 63' ' ' ASP . 2.7 p30 -106.2 -31.47 8.65 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 119.658 1.729 . . . . 0.0 112.324 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 104.39 -26.57 22.36 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 119.898 -1.751 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 49.1 mt-10 -148.83 130.92 15.38 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.058 -1.26 . . . . 0.0 109.781 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.5 125.96 49.39 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.1 -1.0 . . . . 0.0 109.284 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 29.1 t70 -83.93 -174.63 5.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 109.818 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.1 t80 -76.39 -33.92 58.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 109.232 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.94 -39.25 81.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.914 -1.116 . . . . 0.0 109.063 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.38 -23.21 61.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 23.5 t80 -77.58 -41.38 39.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.736 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.81 -27.2 67.37 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.226 -1.546 . . . . 0.0 108.762 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 -52.47 9.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.31 -1.494 . . . . 0.0 110.246 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 -33.93 71.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.605 -1.309 . . . . 0.0 109.608 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.57 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 45.5 t -63.59 -33.49 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.094 -1.004 . . . . 0.0 108.982 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.3 p -70.48 -52.56 21.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 0.0 110.235 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 83.8 mtp -50.35 -38.49 42.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.236 -0.915 . . . . 0.0 110.918 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.51 -49.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.964 -1.085 . . . . 0.0 109.862 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m -60.16 -41.64 93.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.937 -1.102 . . . . 0.0 108.742 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.4 p -73.03 -21.24 60.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.56 -0.713 . . . . 0.0 109.833 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.048 -1.032 . . . . 0.0 109.065 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -57.32 -34.92 69.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.538 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.8 tt -61.69 -48.5 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.274 -0.892 . . . . 0.0 109.726 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.84 -46.44 51.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 109.194 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.14 -41.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.854 0.835 . . . . 0.0 109.294 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.733 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.48 -32.4 42.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.839 -0.538 . . . . 0.0 110.815 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.654 -1.279 . . . . 0.0 108.306 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.548 -0.72 . . . . 0.0 109.541 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 109.339 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.02 -55.48 17.24 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.025 0.917 . . . . 0.0 109.952 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.4 mt -54.89 -41.24 56.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.98 -36.86 72.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.849 -1.157 . . . . 0.0 110.697 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.96 -42.45 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.374 -1.454 . . . . 0.0 108.936 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.61 -31.85 62.6 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.715 -1.241 . . . . 0.0 107.953 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.82 -32.66 52.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.541 -0.724 . . . . 0.0 109.896 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -53.69 -45.43 70.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.461 -0.774 . . . . 0.0 110.144 -178.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -72.33 -47.25 51.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.988 -1.07 . . . . 0.0 109.47 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.1 59.83 1.17 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.345 -0.847 . . . . 0.0 109.843 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.45 -14.1 4.52 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -65.77 -27.56 68.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -1.173 . . . . 0.0 109.018 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.3 tt0 -146.27 -46.15 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.604 -1.31 . . . . 0.0 109.213 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.28 19.35 0.13 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 21' ' ' GLU . 14.9 t70 -49.33 -55.06 14.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.991 -1.299 . . . . 0.0 108.13 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.92 163.07 14.51 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.77 45.27 1.25 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.17 152.05 51.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.747 -0.596 . . . . 0.0 109.558 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.0 tp -123.23 140.99 52.45 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -89.41 153.17 21.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.977 -1.077 . . . . 0.0 109.575 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.65 92.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.054 -1.029 . . . . 0.0 110.061 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.23 -41.14 88.01 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.16 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.24 -34.69 36.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.01 -1.056 . . . . 0.0 109.137 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.66 -44.42 96.99 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -53.33 -55.51 24.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.808 -1.183 . . . . 0.0 109.077 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -47.19 -34.3 6.2 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.668 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.13 -43.89 77.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.811 -1.181 . . . . 0.0 109.413 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.04 -38.01 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.69 -1.256 . . . . 0.0 109.392 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.47 -26.65 68.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 111.272 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -116.11 4.79 13.7 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.266 -0.896 . . . . 0.0 111.083 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.442 ' O ' HD12 ' B' ' 40' ' ' LEU . 6.7 tp10 -120.29 -28.58 5.01 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.104 -0.997 . . . . 0.0 110.505 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.442 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.3 mp -118.02 23.61 11.53 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.25 -25.76 63.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.423 -0.798 . . . . 0.0 109.538 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.49 -42.94 61.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.375 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -69.91 -23.37 63.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.06 -29.33 3.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 109.648 -179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.05 -41.17 64.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.971 -1.08 . . . . 0.0 109.916 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -87.28 59.42 5.54 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.255 -0.903 . . . . 0.0 110.004 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.54 102.03 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NE2' ' B' ' 50' ' ' GLN . 29.9 mmtm -86.98 -40.76 14.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.983 . . . . 0.0 109.37 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 7.9 mp0 -85.6 105.76 16.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.454 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 24.9 mp0 -82.92 -28.38 29.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.049 -1.032 . . . . 0.0 109.526 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -73.67 -22.03 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.375 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -75.18 -50.36 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.651 -1.281 . . . . 0.0 108.186 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.3 -33.9 63.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.942 -1.099 . . . . 0.0 109.035 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.23 -42.69 91.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -70.21 -26.75 64.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.828 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.32 -55.61 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.67 -1.269 . . . . 0.0 108.372 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.67 -25.23 17.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.384 -0.823 . . . . 0.0 110.216 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -85.77 -34.76 21.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.89 -1.131 . . . . 0.0 109.373 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -48.87 66.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.673 -1.267 . . . . 0.0 108.131 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.51 -56.64 19.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.549 -1.344 . . . . 0.0 108.221 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.72 -24.7 6.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.16 -0.962 . . . . 0.0 109.194 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.73 39.66 1.35 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.263 1.03 . . . . 0.0 109.559 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 65' ' ' ASP . 35.2 t70 -45.29 -35.15 3.27 Favored 'General case' 0 C--N 1.275 -2.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.117 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.94 -9.23 0.01 OUTLIER Glycine 0 N--CA 1.494 2.528 0 O-C-N 122.057 -0.402 . . . . 0.0 112.846 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' B' ' 63' ' ' ASP . 2.7 p30 -106.08 -31.38 8.74 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.597 1.698 . . . . 0.0 112.356 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 104.43 -26.69 21.97 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 119.884 -1.76 . . . . 0.0 109.554 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 49.1 mt-10 -148.77 130.88 15.4 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.038 -1.272 . . . . 0.0 109.762 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.49 125.94 49.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.136 -0.977 . . . . 0.0 109.28 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 29.0 t70 -83.91 -174.68 5.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.759 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.479 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 28.9 t80 -76.36 -33.85 58.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.308 -0.87 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -59.03 -39.2 81.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.904 -1.122 . . . . 0.0 109.01 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.37 -23.25 61.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.148 -0.97 . . . . 0.0 109.506 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.562 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 23.6 t80 -77.57 -41.39 39.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.357 -0.839 . . . . 0.0 109.712 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.82 -27.24 67.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.207 -1.558 . . . . 0.0 108.77 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.4 9.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.296 -1.503 . . . . 0.0 110.264 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.3 -33.94 71.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.598 -1.314 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.562 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.5 t -63.64 -33.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.109 -0.994 . . . . 0.0 108.971 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 52.2 p -70.32 -52.61 21.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 110.26 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 83.9 mtp -50.34 -38.51 42.4 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 0.0 110.868 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.52 -50.01 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -60.11 -41.65 93.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.859 -1.151 . . . . 0.0 108.767 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -73.06 -21.18 60.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.735 . . . . 0.0 109.817 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.073 -1.017 . . . . 0.0 109.044 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.32 -35.54 69.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.193 -0.942 . . . . 0.0 109.538 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.45 -54.54 45.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.851 . . . . 0.0 109.663 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -54.97 -47.38 74.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.31 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -48.52 -43.47 35.28 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.762 0.791 . . . . 0.0 109.686 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.15 -28.66 42.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.803 -0.561 . . . . 0.0 110.767 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -58.94 -41.72 88.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.501 -1.374 . . . . 0.0 108.326 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.3 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.2 69.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.254 -0.904 . . . . 0.0 110.13 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.97 -57.83 9.03 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.033 0.921 . . . . 0.0 109.899 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -57.85 -39.16 69.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.085 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -69.51 -36.4 76.41 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.045 -1.034 . . . . 0.0 110.774 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.39 -34.97 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.396 -1.44 . . . . 0.0 109.459 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -60.25 -33.68 72.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.762 -1.211 . . . . 0.0 108.109 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.78 -30.38 61.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.497 -0.752 . . . . 0.0 109.646 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.93 -45.25 74.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -70.41 -43.02 70.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.062 -1.023 . . . . 0.0 109.238 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -96.95 61.06 1.78 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.05 -8.96 11.1 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.48 -31.95 73.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.546 -0.973 . . . . 0.0 109.328 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 23' ' ' ASP . 88.8 mt-10 -148.79 -45.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.604 -1.31 . . . . 0.0 110.172 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.3 12.26 0.3 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.1 t0 -47.93 -59.46 3.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -1.153 . . . . 0.0 108.634 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 21.0 pttm -90.25 177.63 6.37 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -122.84 47.34 1.98 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -134.64 147.61 50.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.749 -0.594 . . . . 0.0 109.995 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 tp -122.22 142.39 50.48 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.82 154.75 19.28 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.889 -1.132 . . . . 0.0 109.605 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.57 -40.14 86.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.069 -1.019 . . . . 0.0 109.961 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.8 p -57.08 -39.79 75.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.296 -0.878 . . . . 0.0 111.11 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.06 -33.84 29.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.757 -1.214 . . . . 0.0 108.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.0 tt -59.91 -46.46 89.3 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.79 -56.62 14.34 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.37 -1.456 . . . . 0.0 108.877 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.69 -35.95 15.05 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.229 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD11 ' OE2' ' A' ' 39' ' ' GLU . 17.0 tp -66.09 -39.88 90.34 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 109.524 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.92 -40.23 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.83 -1.169 . . . . 0.0 109.549 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.75 -25.28 66.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 112.278 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -113.66 -17.91 12.02 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.002 -1.062 . . . . 0.0 111.752 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' OE2' HD11 ' A' ' 35' ' ' LEU . 59.4 mt-10 -97.89 -22.43 16.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.683 -1.261 . . . . 0.0 110.936 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.88 29.14 7.71 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.155 -0.965 . . . . 0.0 109.571 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -26.6 61.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.504 -0.747 . . . . 0.0 110.223 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -73.96 -52.15 13.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.979 -1.075 . . . . 0.0 110.129 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -63.97 -23.17 67.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.945 . . . . 0.0 109.533 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.539 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -48.77 -30.98 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.307 -0.871 . . . . 0.0 109.045 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -72.79 -39.21 66.89 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.101 -0.999 . . . . 0.0 109.115 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.42 58.27 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.66 149.19 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.76 -50.71 0.5 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.3 mt-10 -74.14 62.34 0.91 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.0 108.68 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.95 -24.9 0.16 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.404 -0.81 . . . . 0.0 110.338 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' GLU . 22.8 mt-10 -73.76 -22.64 59.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.107 -0.996 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.04 -50.28 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.613 -1.305 . . . . 0.0 107.93 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.56 -33.7 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.932 -1.105 . . . . 0.0 109.084 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -59.98 -44.6 94.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.61 -26.01 64.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.895 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.74 -56.52 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.825 -1.172 . . . . 0.0 108.175 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.32 15.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 110.211 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.62 -34.45 21.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.766 -1.209 . . . . 0.0 109.452 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 p -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.687 -1.258 . . . . 0.0 108.236 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.3 mp -61.43 -56.83 15.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.633 -1.292 . . . . 0.0 108.285 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.17 -24.25 6.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 0.0 109.298 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.4 41.52 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 122.343 1.068 . . . . 0.0 109.014 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.9 t70 -43.99 -34.73 1.8 Allowed 'General case' 0 C--N 1.275 -2.672 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.786 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.88 -12.45 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 O-C-N 121.987 -0.446 . . . . 0.0 112.545 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.2 p30 -104.58 -31.21 9.53 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 119.584 1.692 . . . . 0.0 111.915 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 105.27 -25.57 24.5 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.974 -1.704 . . . . 0.0 109.339 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.41 129.44 15.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.15 -1.206 . . . . 0.0 109.798 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 49.0 m -101.64 125.07 48.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.99 -1.069 . . . . 0.0 109.192 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 30.6 t70 -83.2 -174.66 5.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.233 -0.917 . . . . 0.0 109.875 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.462 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.3 t80 -74.9 -33.73 62.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.323 -0.861 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.31 -37.62 81.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.094 . . . . 0.0 109.103 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.62 -25.93 61.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.075 -1.016 . . . . 0.0 109.878 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.9 t80 -74.86 -41.53 59.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.349 -0.845 . . . . 0.0 109.801 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -64.46 -48.49 75.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.045 -1.659 . . . . 0.0 108.061 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.0 63.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.422 -1.424 . . . . 0.0 110.996 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CD1' HD11 ' A' ' 60' ' ' LEU . 25.8 m-85 -70.17 -32.04 69.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.413 -1.43 . . . . 0.0 109.757 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 54.9 t -65.14 -34.28 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 0.0 109.206 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.2 p -71.31 -53.9 12.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.054 -1.029 . . . . 0.0 109.96 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.416 ' N ' ' OG ' ' A' ' 78' ' ' SER . 9.7 mtt -50.57 -39.4 49.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.228 -0.92 . . . . 0.0 110.675 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.18 -49.49 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.757 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 34.4 m -62.45 -41.51 98.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.146 -0.971 . . . . 0.0 108.905 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -67.71 -21.07 65.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.149 179.692 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.29 -35.56 69.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.543 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.47 -54.45 46.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 0.0 109.724 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -54.95 -47.47 74.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.192 -0.943 . . . . 0.0 109.261 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -48.46 -43.45 34.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.791 0.805 . . . . 0.0 109.713 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.18 -28.7 42.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.821 -0.549 . . . . 0.0 110.761 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -58.89 -41.77 87.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.547 -1.346 . . . . 0.0 108.304 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.715 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.15 69.77 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.239 -0.913 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.99 -57.78 9.19 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.993 0.901 . . . . 0.0 109.915 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.91 -39.11 69.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.087 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -69.58 -36.38 76.22 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.018 -1.051 . . . . 0.0 110.746 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.38 -35.03 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.41 -1.432 . . . . 0.0 109.448 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -60.16 -33.71 72.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.721 -1.237 . . . . 0.0 108.135 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.73 -30.46 61.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.0 109.694 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.86 -45.32 74.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.54 -0.725 . . . . 0.0 109.926 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.41 -42.99 70.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.031 -1.043 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -96.98 61.11 1.77 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.07 -8.96 11.07 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.45 -31.95 73.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.511 -0.993 . . . . 0.0 109.341 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' B' ' 23' ' ' ASP . 88.8 mt-10 -148.82 -45.13 0.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.544 -1.347 . . . . 0.0 110.111 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.27 12.27 0.29 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.1 t0 -47.9 -59.49 3.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -1.182 . . . . 0.0 108.613 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -90.15 177.66 6.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 9.2 p80 -122.84 47.2 2.0 Allowed 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -134.55 147.58 50.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 110.034 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 tp -122.21 142.4 50.47 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.86 154.76 19.26 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.936 -1.103 . . . . 0.0 109.584 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -59.57 -40.13 86.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.094 -1.004 . . . . 0.0 109.938 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.0 p -57.08 -39.85 75.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.895 . . . . 0.0 111.046 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -82.01 -33.84 29.87 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.779 -1.201 . . . . 0.0 108.866 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.619 ' O ' HD23 ' B' ' 32' ' ' LEU . 4.0 tt -59.9 -46.5 89.15 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.76 -56.64 14.2 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.366 -1.459 . . . . 0.0 108.912 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.63 -36.03 14.96 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.207 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.406 HD11 ' OE2' ' B' ' 39' ' ' GLU . 16.9 tp -65.97 -39.96 90.84 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.952 -1.093 . . . . 0.0 109.602 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.81 -40.3 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.795 -1.191 . . . . 0.0 109.569 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.73 -25.32 66.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.505 -0.747 . . . . 0.0 112.278 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.65 -17.91 12.02 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.958 -1.089 . . . . 0.0 111.734 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.406 ' OE2' HD11 ' B' ' 35' ' ' LEU . 59.6 mt-10 -97.83 -22.53 16.32 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.732 -1.23 . . . . 0.0 110.978 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.78 29.14 7.72 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.132 -0.98 . . . . 0.0 109.534 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.94 -26.64 61.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.476 -0.765 . . . . 0.0 110.169 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -74.01 -52.07 13.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.933 -1.104 . . . . 0.0 110.138 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -64.0 -23.26 67.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.513 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.525 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.73 -30.97 6.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.266 -0.896 . . . . 0.0 109.062 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.77 -39.24 66.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.134 -0.979 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.29 58.21 4.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.411 -0.805 . . . . 0.0 109.646 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm -121.7 149.22 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.79 -50.66 0.49 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.347 -0.846 . . . . 0.0 109.022 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 51' ' ' GLU . 17.3 mt-10 -74.13 62.26 0.9 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 108.67 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.98 -24.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.429 -0.794 . . . . 0.0 110.33 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 49' ' ' GLU . 22.8 mt-10 -73.77 -22.63 59.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.117 -0.989 . . . . 0.0 110.078 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.11 -50.25 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.705 -1.247 . . . . 0.0 107.904 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.53 -33.7 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.907 -1.121 . . . . 0.0 109.125 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -60.01 -44.56 94.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.58 -26.03 64.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.77 -56.55 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.847 -1.158 . . . . 0.0 108.106 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.38 16.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.53 -34.48 21.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.802 -1.186 . . . . 0.0 109.505 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -67.76 -46.96 70.57 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.709 -1.244 . . . . 0.0 108.27 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.412 HD12 ' N ' ' B' ' 60' ' ' LEU . 9.3 mp -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.602 -1.311 . . . . 0.0 108.257 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.21 -24.12 6.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -0.979 . . . . 0.0 109.314 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -101.41 41.44 1.2 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 122.403 1.097 . . . . 0.0 109.348 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.57 ' C ' ' H ' ' B' ' 65' ' ' ASP . 25.5 t70 -43.95 -34.67 1.75 Allowed 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.79 -12.66 0.01 OUTLIER Glycine 0 N--CA 1.495 2.569 0 O-C-N 121.976 -0.453 . . . . 0.0 112.659 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.2 p30 -104.46 -31.24 9.57 Favored 'General case' 0 N--CA 1.513 2.688 0 CA-C-N 119.523 1.661 . . . . 0.0 111.936 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.52 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 105.39 -25.61 24.2 Favored Glycine 0 N--CA 1.499 2.89 0 O-C-N 119.878 -1.764 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.38 129.41 15.45 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.055 -1.262 . . . . 0.0 109.767 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 49.6 m -101.65 125.06 48.24 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.97 -1.081 . . . . 0.0 109.185 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 30.7 t70 -83.25 -174.72 5.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.197 -0.939 . . . . 0.0 109.887 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.465 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.5 t80 -74.84 -33.83 62.21 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -0.854 . . . . 0.0 108.847 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.27 -37.67 81.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.932 -1.105 . . . . 0.0 109.07 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.6 -25.82 61.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.971 . . . . 0.0 109.944 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.9 t80 -74.85 -41.54 59.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.857 . . . . 0.0 109.837 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -64.49 -48.5 74.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.105 -1.622 . . . . 0.0 108.036 179.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.97 63.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.394 -1.441 . . . . 0.0 111.007 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.408 ' CG ' HD11 ' B' ' 60' ' ' LEU . 25.7 m-85 -70.18 -32.09 69.86 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.347 -1.471 . . . . 0.0 109.72 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 54.8 t -65.14 -34.28 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.193 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.1 p -71.25 -53.96 12.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.088 -1.008 . . . . 0.0 109.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.419 ' N ' ' OG ' ' B' ' 78' ' ' SER . 9.7 mtt -50.48 -39.47 48.34 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.203 -0.936 . . . . 0.0 110.673 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.13 -49.58 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.069 -1.019 . . . . 0.0 109.759 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.7 m -62.39 -41.53 98.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.163 -0.96 . . . . 0.0 108.897 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -67.74 -20.99 65.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 109.403 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.142 -0.974 . . . . 0.0 109.176 179.681 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 6.1 mp0 -57.48 -35.46 70.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.112 -0.992 . . . . 0.0 109.423 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.2 tt -60.45 -52.29 65.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.745 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' OE1' ' CG ' ' B' ' 42' ' ' HIS . 28.8 mt-10 -49.89 -45.61 50.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.086 -1.009 . . . . 0.0 109.634 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -48.67 -44.39 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.729 0.776 . . . . 0.0 109.686 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.23 -28.74 47.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.734 -0.604 . . . . 0.0 110.837 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -61.57 -46.72 88.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.598 -1.314 . . . . 0.0 108.534 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.14 -35.06 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 110.217 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.72 76.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.01 -1.056 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.29 16.53 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.949 0.881 . . . . 0.0 109.642 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 92.5 mt -56.07 -38.72 54.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.663 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -70.13 -36.58 74.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.711 -1.243 . . . . 0.0 110.928 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.0 t -70.11 -35.52 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.297 -1.502 . . . . 0.0 109.208 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.81 -31.67 71.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.6 -1.313 . . . . 0.0 107.708 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 11' ' ' ILE . 21.6 m170 -72.83 -36.02 67.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.605 -0.685 . . . . 0.0 109.959 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.404 -0.81 . . . . 0.0 110.34 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.77 -43.61 62.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.881 -1.137 . . . . 0.0 109.253 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.88 60.99 1.52 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.235 -0.916 . . . . 0.0 110.132 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -7.84 11.31 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 107.448 -2.261 . . . . 0.0 107.448 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.44 -33.62 76.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.613 -0.933 . . . . 0.0 109.01 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.3 mt-10 -147.65 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.622 -1.298 . . . . 0.0 110.177 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.88 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 31.0 t70 -49.92 -58.53 5.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -1.233 . . . . 0.0 108.26 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.9 169.6 11.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.458 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 51.2 p-80 -118.04 47.82 1.51 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -132.51 146.41 51.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.781 -0.574 . . . . 0.0 110.095 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -123.45 143.07 50.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -91.89 155.01 18.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.873 -1.142 . . . . 0.0 109.824 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -58.64 -39.98 82.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 109.961 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -57.74 -39.86 78.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.407 -0.808 . . . . 0.0 111.344 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -81.19 -39.05 26.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.826 -1.171 . . . . 0.0 109.03 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.9 tt -56.0 -46.1 78.83 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.61 20.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.406 -1.434 . . . . 0.0 109.098 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.92 -35.2 10.22 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.713 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.09 -41.58 81.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.799 -1.188 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -56.04 -35.47 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.636 -1.29 . . . . 0.0 109.458 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.38 -45.75 82.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.438 -0.789 . . . . 0.0 111.568 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.79 -16.86 22.64 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.943 -1.098 . . . . 0.0 111.357 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 40' ' ' LEU . 65.9 mm-40 -96.86 -28.12 14.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.802 -1.186 . . . . 0.0 110.836 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 39' ' ' GLU . 6.8 mp -118.74 32.88 5.9 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.17 -40.46 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CG ' ' OE1' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -68.91 -50.63 47.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.01 -1.056 . . . . 0.0 109.994 -179.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.69 -30.13 63.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.192 -0.943 . . . . 0.0 109.449 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.19 -22.38 0.99 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.435 -0.791 . . . . 0.0 109.839 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.92 -41.38 23.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 110.054 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.59 58.39 3.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 0.0 109.983 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 48' ' ' LYS . 44.8 mm -119.42 157.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.527 -0.733 . . . . 0.0 109.029 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' N ' HG22 ' A' ' 47' ' ' ILE . 4.1 ttmp? -145.56 -51.59 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.138 -0.976 . . . . 0.0 108.986 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.31 65.98 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.22 -0.925 . . . . 0.0 108.684 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.84 -22.8 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.863 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -73.44 -22.13 60.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.865 -1.147 . . . . 0.0 110.197 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.43 -51.11 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.288 . . . . 0.0 107.798 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.49 -32.73 56.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.972 -1.08 . . . . 0.0 108.73 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.86 -47.29 87.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.414 -0.804 . . . . 0.0 109.843 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.81 -27.16 68.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.146 -0.971 . . . . 0.0 109.862 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.07 -55.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.704 -1.248 . . . . 0.0 108.153 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.67 -28.27 32.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 0.0 110.533 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.16 -34.24 20.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.772 -1.205 . . . . 0.0 109.508 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.86 -43.58 75.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.779 -1.201 . . . . 0.0 108.228 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.72 -57.37 12.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.73 -1.231 . . . . 0.0 108.317 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.61 -22.07 1.85 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.0 109.076 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.44 40.32 1.37 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 122.145 0.974 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 19.1 t70 -44.65 -37.68 3.82 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-O 121.6 0.714 . . . . 0.0 109.889 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.05 -7.15 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.536 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 43.6 m-20 -109.11 -8.99 15.07 Favored 'General case' 0 N--CA 1.512 2.656 0 CA-C-N 119.13 1.465 . . . . 0.0 112.476 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 79.33 -29.07 2.25 Favored Glycine 0 N--CA 1.493 2.485 0 O-C-N 119.622 -1.924 . . . . 0.0 110.691 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -145.8 130.01 17.58 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.02 -1.283 . . . . 0.0 110.048 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 74.5 m -103.53 125.0 49.82 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.188 -0.945 . . . . 0.0 108.809 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -81.28 -175.18 5.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 109.971 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.06 -35.07 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -55.01 -35.95 64.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.997 -1.064 . . . . 0.0 108.471 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.53 -24.48 61.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.68 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 77' ' ' VAL . 72.9 t80 -75.26 -41.84 56.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.99 -53.96 26.36 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.245 -1.535 . . . . 0.0 108.404 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.75 -46.94 67.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.368 -1.458 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.45 -33.86 76.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.565 -1.335 . . . . 0.0 109.447 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' PHE . 22.6 t -66.02 -33.24 62.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 t -71.17 -54.39 11.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 0.0 110.148 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 71.0 mtp -50.21 -39.4 44.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 110.876 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.62 -55.84 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.994 -1.066 . . . . 0.0 109.871 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.1 -40.21 73.35 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.921 -1.112 . . . . 0.0 108.594 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 p -73.92 -20.9 60.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 109.562 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.066 -1.021 . . . . 0.0 108.953 179.754 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.596 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 6.1 mp0 -57.43 -35.45 70.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 109.451 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.448 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.2 tt -60.48 -52.24 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 109.759 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.428 ' OE1' ' CG ' ' A' ' 42' ' ' HIS . 28.9 mt-10 -49.94 -45.64 51.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.08 -1.012 . . . . 0.0 109.577 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -48.67 -44.35 37.63 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.736 0.779 . . . . 0.0 109.706 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.26 -28.66 47.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.736 -0.603 . . . . 0.0 110.888 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -61.65 -46.7 88.65 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.551 -1.343 . . . . 0.0 108.479 179.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.22 -34.97 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.49 -0.756 . . . . 0.0 110.177 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.78 76.39 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.064 -1.023 . . . . 0.0 109.371 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.25 16.65 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.915 0.864 . . . . 0.0 109.644 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 92.5 mt -56.04 -38.75 54.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.639 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -70.18 -36.59 74.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.756 -1.215 . . . . 0.0 110.87 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.09 -35.5 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.337 -1.477 . . . . 0.0 109.254 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.8 -31.68 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.637 -1.289 . . . . 0.0 107.716 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 11' ' ' ILE . 21.7 m170 -72.82 -36.02 67.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.665 -0.647 . . . . 0.0 109.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.9 70.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.397 -0.814 . . . . 0.0 110.322 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.75 -43.56 62.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.004 -1.06 . . . . 0.0 109.307 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.9 60.94 1.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -0.888 . . . . 0.0 110.129 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.9 -7.77 11.35 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 107.468 -2.253 . . . . 0.0 107.468 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.49 -33.54 75.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.568 -0.96 . . . . 0.0 109.0 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -147.71 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.674 -1.266 . . . . 0.0 110.18 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.9 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' B' ' 21' ' ' GLU . 31.0 t70 -49.96 -58.45 5.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.058 -1.26 . . . . 0.0 108.304 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.95 169.58 11.1 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.456 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 51.2 p-80 -118.03 47.88 1.5 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -132.55 146.44 51.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.728 -0.607 . . . . 0.0 110.081 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -123.53 143.1 50.4 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -91.88 155.0 18.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.9 -1.125 . . . . 0.0 109.837 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -58.66 -39.94 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.977 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.1 t -57.79 -39.86 78.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.438 -0.789 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -81.14 -39.03 26.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.757 -1.214 . . . . 0.0 109.082 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.634 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.9 tt -55.97 -46.13 78.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.68 19.96 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.484 -1.385 . . . . 0.0 109.093 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.82 -35.24 9.85 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.714 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.05 -41.6 81.78 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.742 -1.224 . . . . 0.0 109.451 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.17 -35.35 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.675 -1.265 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.46 -45.7 82.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 111.572 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.81 -16.86 22.62 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.877 -1.14 . . . . 0.0 111.369 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.537 ' O ' HD12 ' B' ' 40' ' ' LEU . 65.9 mm-40 -96.86 -28.13 14.37 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.801 -1.187 . . . . 0.0 110.844 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD12 ' O ' ' B' ' 39' ' ' GLU . 6.8 mp -118.74 32.87 5.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.353 -0.842 . . . . 0.0 109.034 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.2 -40.53 71.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 0.0 110.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.413 ' CG ' ' OE1' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.89 -50.61 48.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.912 -1.118 . . . . 0.0 109.973 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.72 -30.1 63.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.141 -0.974 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.477 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.22 -22.36 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.384 -0.823 . . . . 0.0 109.794 -179.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.97 -41.27 23.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.999 -1.063 . . . . 0.0 110.106 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.63 58.41 3.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 109.974 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.421 HG22 ' N ' ' B' ' 48' ' ' LYS . 44.8 mm -119.42 157.91 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.495 -0.753 . . . . 0.0 108.98 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.421 ' N ' HG22 ' B' ' 47' ' ' ILE . 4.1 ttmp? -145.56 -51.52 0.25 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.2 -0.938 . . . . 0.0 109.022 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.35 66.0 5.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.899 . . . . 0.0 108.666 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.85 -22.84 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.833 . . . . 0.0 110.823 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.41 -22.13 60.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.914 -1.116 . . . . 0.0 110.184 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.44 -51.09 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.636 -1.29 . . . . 0.0 107.845 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.45 -32.8 56.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.005 -1.059 . . . . 0.0 108.753 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.81 -47.28 87.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.86 -27.2 68.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.04 -55.61 21.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.698 -1.251 . . . . 0.0 108.108 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.58 -28.35 31.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.21 -34.12 20.57 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.771 -1.206 . . . . 0.0 109.539 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.88 -43.59 75.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 108.252 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.82 -57.26 13.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.67 -1.268 . . . . 0.0 108.302 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.68 -21.99 1.85 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.116 -0.99 . . . . 0.0 109.061 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.43 40.35 1.37 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 122.206 1.003 . . . . 0.0 109.489 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.594 ' C ' ' H ' ' B' ' 65' ' ' ASP . 18.7 t70 -44.49 -37.82 3.73 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.4 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.98 -7.31 0.01 OUTLIER Glycine 0 N--CA 1.489 2.222 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.648 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.594 ' H ' ' C ' ' B' ' 63' ' ' ASP . 43.9 m-20 -109.11 -8.92 15.08 Favored 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 119.009 1.405 . . . . 0.0 112.497 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 79.41 -29.21 2.27 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 119.551 -1.968 . . . . 0.0 110.699 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -145.72 129.98 17.63 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.04 -1.271 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.488 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 74.7 m -103.54 125.04 49.84 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.178 -0.951 . . . . 0.0 108.786 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -81.33 -175.12 5.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.116 -0.99 . . . . 0.0 109.933 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.12 -35.06 64.09 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -55.02 -35.95 64.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.994 -1.067 . . . . 0.0 108.478 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.51 -24.43 61.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 109.722 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 77' ' ' VAL . 72.8 t80 -75.24 -41.95 56.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 109.287 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.7 tpt -66.78 -54.05 26.65 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.308 -1.495 . . . . 0.0 108.443 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -46.93 67.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.386 -1.446 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.5 -33.79 75.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.591 -1.318 . . . . 0.0 109.466 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 73' ' ' PHE . 22.5 t -66.1 -33.2 61.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.096 -1.002 . . . . 0.0 108.6 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -71.17 -54.42 11.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.923 . . . . 0.0 110.129 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 71.1 mtp -50.24 -39.39 44.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.908 . . . . 0.0 110.839 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.56 -55.84 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.035 -1.041 . . . . 0.0 109.91 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.08 -40.27 73.35 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.862 -1.149 . . . . 0.0 108.632 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.7 p -73.89 -20.88 60.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 109.592 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 108.996 179.72 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.71 -38.51 81.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.007 -1.058 . . . . 0.0 109.314 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -60.73 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.519 ' OE1' ' CE1' ' B' ' 42' ' ' HIS . 75.4 tt0 -51.1 -47.11 61.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.598 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.7 -44.81 58.14 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.849 0.833 . . . . 0.0 109.844 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.752 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.75 -29.94 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.797 -0.564 . . . . 0.0 111.325 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -46.12 86.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.589 -1.319 . . . . 0.0 108.627 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.53 -34.56 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.464 -0.772 . . . . 0.0 110.241 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -50.26 74.64 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.059 -1.026 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.41 -54.99 28.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.96 0.886 . . . . 0.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.69 -39.45 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.898 -0.501 . . . . 0.0 110.753 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.44 -35.49 70.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.84 -1.163 . . . . 0.0 110.686 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.53 -42.7 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.56 -1.338 . . . . 0.0 109.597 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.09 -33.82 63.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.616 -1.303 . . . . 0.0 108.505 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.53 -29.6 59.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.23 -45.12 75.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 110.035 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -71.63 -47.61 53.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.004 -1.06 . . . . 0.0 109.41 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 m -98.42 61.03 1.39 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.365 -0.834 . . . . 0.0 110.135 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.45 -12.92 5.96 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.46 -30.57 70.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -1.161 . . . . 0.0 109.081 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASP . 41.1 tt0 -148.16 -45.23 0.16 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.675 -1.266 . . . . 0.0 109.635 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.95 24.12 0.25 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.321 . . . . 0.0 108.289 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.69 174.39 7.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -120.86 50.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.17 145.04 51.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.802 -0.561 . . . . 0.0 109.65 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' CYS . 15.3 tp -118.8 141.7 48.39 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.53 16.8 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.089 -1.007 . . . . 0.0 109.758 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.26 -39.23 86.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.421 -0.799 . . . . 0.0 110.179 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -59.45 -41.86 90.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.75 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -42.11 33.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 109.099 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 tp -55.61 -42.46 74.9 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.93 -56.96 12.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.895 -1.128 . . . . 0.0 108.792 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -48.3 -35.63 12.65 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.941 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -65.98 -47.95 72.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.0 . . . . 0.0 108.743 179.179 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -52.62 -38.87 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.285 . . . . 0.0 109.481 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -61.87 -26.03 67.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.718 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -121.0 -2.83 9.66 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.411 -0.806 . . . . 0.0 110.493 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' LEU . 21.9 tt0 -98.85 -32.26 11.44 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.96 -1.087 . . . . 0.0 110.82 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.23 34.64 4.81 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.281 -0.887 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -70.57 -24.88 62.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.0 109.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CD2' ' OE1' ' B' ' 4' ' ' GLU . 55.8 m-70 -74.0 -42.9 59.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 110.244 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.65 -22.39 50.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.967 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -48.26 -27.34 2.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.318 -179.415 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.25 -39.12 41.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 110.205 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.0 59.63 5.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.196 -0.94 . . . . 0.0 110.521 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.76 107.42 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.47 -0.769 . . . . 0.0 108.938 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -83.36 -57.16 3.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.053 -1.03 . . . . 0.0 108.787 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -75.5 113.9 13.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.076 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -88.88 -23.68 22.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.056 -1.028 . . . . 0.0 109.776 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.77 -24.84 58.75 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.267 -0.896 . . . . 0.0 111.324 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 53' ' ' VAL . 28.2 m -74.73 -43.4 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.452 -1.405 . . . . 0.0 108.377 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.497 ' N ' HG23 ' A' ' 52' ' ' VAL . 83.2 t -67.97 -34.08 64.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 120.651 -1.28 . . . . 0.0 108.658 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -57.34 -43.0 83.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.16 -27.09 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.154 -0.966 . . . . 0.0 109.884 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.27 -55.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.539 -1.351 . . . . 0.0 107.677 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -53.0 -28.62 24.83 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.65 -38.84 14.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.059 -1.025 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.09 -39.73 78.84 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.6 tp -69.17 -57.08 5.85 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.784 -1.197 . . . . 0.0 108.026 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -50.94 -18.25 0.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.084 -1.01 . . . . 0.0 109.135 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' LEU . 87.6 mt-10 -100.24 40.99 1.2 Allowed 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.308 1.052 . . . . 0.0 109.067 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.2 p-10 -45.01 -34.04 2.3 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.494 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.46 -6.14 0.01 OUTLIER Glycine 0 N--CA 1.499 2.844 0 O-C-N 121.974 -0.454 . . . . 0.0 112.111 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . 54.0 t0 -104.39 -31.45 9.51 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 119.164 1.482 . . . . 0.0 111.926 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.24 -27.81 18.42 Favored Glycine 0 N--CA 1.499 2.85 0 O-C-N 119.873 -1.767 . . . . 0.0 109.049 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.59 130.6 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.213 -1.169 . . . . 0.0 109.769 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 27' ' ' LEU . 11.4 m -104.0 126.76 51.37 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.171 -0.955 . . . . 0.0 109.45 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 23.8 t70 -81.15 -172.3 3.69 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.919 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.46 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 26.4 t80 -74.3 -28.88 61.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.336 -0.853 . . . . 0.0 108.762 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -63.83 -36.11 82.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.862 -1.149 . . . . 0.0 108.477 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -71.98 -24.91 61.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.914 . . . . 0.0 109.689 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -73.21 -41.82 63.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.87 -51.8 55.71 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.292 -1.505 . . . . 0.0 108.416 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.27 46.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.306 -1.496 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -59.92 -36.89 77.98 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.885 -1.134 . . . . 0.0 109.223 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 73' ' ' PHE . 41.5 t -69.85 -34.0 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 0.0 108.975 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.71 42.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.411 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.62 -36.53 35.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.975 -1.078 . . . . 0.0 110.487 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.84 -47.92 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.774 -1.204 . . . . 0.0 109.409 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.23 -36.87 74.82 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 108.841 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -69.25 -26.63 64.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 109.825 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.73 -38.42 81.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.051 -1.03 . . . . 0.0 109.313 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.487 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.1 tt -60.83 -49.01 79.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.853 . . . . 0.0 109.027 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CD2' ' A' ' 42' ' ' HIS . 75.6 tt0 -51.14 -47.16 62.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.24 -0.912 . . . . 0.0 109.617 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.63 -44.8 57.45 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.813 0.816 . . . . 0.0 109.829 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.752 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.83 -29.86 56.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.838 -0.539 . . . . 0.0 111.344 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -46.12 86.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.623 -1.298 . . . . 0.0 108.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.54 -34.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.534 -0.728 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.19 74.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.085 -1.009 . . . . 0.0 109.61 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 22.4 mt -53.52 -54.96 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.902 0.858 . . . . 0.0 110.543 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.7 -39.43 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.884 -0.51 . . . . 0.0 110.803 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.41 -35.54 71.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.867 -1.146 . . . . 0.0 110.75 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 77.8 t -69.47 -42.76 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.524 -1.36 . . . . 0.0 109.59 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.03 -33.87 63.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.613 -1.304 . . . . 0.0 108.531 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.55 -29.6 59.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 109.683 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -55.15 -45.16 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.084 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -71.7 -47.48 53.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 109.38 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -98.54 61.09 1.36 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.374 -0.829 . . . . 0.0 110.051 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.48 -12.88 5.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.55 -30.49 70.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -1.15 . . . . 0.0 109.055 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 23' ' ' ASP . 40.9 tt0 -148.13 -45.34 0.16 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.648 -1.283 . . . . 0.0 109.649 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 43.06 24.09 0.26 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.934 -1.333 . . . . 0.0 108.306 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.67 174.45 7.73 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -120.83 50.57 1.33 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.15 145.04 51.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.802 -0.561 . . . . 0.0 109.599 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 27' ' ' LEU . 15.3 tp -118.78 141.69 48.4 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.54 16.79 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.076 -1.015 . . . . 0.0 109.764 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.24 -39.27 86.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -59.5 -41.84 90.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.0 110.709 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.05 -42.18 33.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.027 -1.046 . . . . 0.0 109.089 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.57 -42.48 74.79 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.96 -56.95 12.14 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.832 -1.167 . . . . 0.0 108.788 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -48.26 -35.62 12.42 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.977 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.6 OUTLIER -66.01 -47.92 72.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.05 -1.031 . . . . 0.0 108.772 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.7 -38.82 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.649 -1.282 . . . . 0.0 109.503 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -61.87 -26.0 67.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.867 . . . . 0.0 110.744 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -120.97 -2.94 9.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.404 -0.81 . . . . 0.0 110.504 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 35' ' ' LEU . 21.8 tt0 -98.74 -32.22 11.49 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.954 -1.091 . . . . 0.0 110.872 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -126.29 34.65 4.8 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.364 -0.835 . . . . 0.0 109.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -70.58 -24.88 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 109.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.519 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 56.0 m-70 -74.03 -42.89 59.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.982 . . . . 0.0 110.201 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.63 -22.41 50.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 110.016 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.32 -27.29 2.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.0 109.321 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.24 -39.2 41.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.138 -0.977 . . . . 0.0 110.161 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.98 59.61 5.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.109 -0.994 . . . . 0.0 110.48 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.75 107.46 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.769 . . . . 0.0 108.953 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -83.42 -57.13 3.38 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.078 -1.014 . . . . 0.0 108.745 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -75.52 113.84 13.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.075 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -88.83 -23.69 22.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.012 -1.055 . . . . 0.0 109.786 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.76 -24.82 58.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.263 -0.898 . . . . 0.0 111.329 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.502 HG23 ' N ' ' B' ' 53' ' ' VAL . 28.3 m -74.75 -43.35 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.393 -1.442 . . . . 0.0 108.358 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.502 ' N ' HG23 ' B' ' 52' ' ' VAL . 82.8 t -68.1 -33.93 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.649 -1.282 . . . . 0.0 108.668 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.41 -43.01 83.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.09 -27.12 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.24 -55.49 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.556 -1.34 . . . . 0.0 107.649 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -52.96 -28.58 24.39 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 0.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.67 -38.87 14.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.101 -0.999 . . . . 0.0 109.246 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.01 -39.77 79.1 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.6 tp -69.14 -57.14 5.79 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.815 -1.178 . . . . 0.0 107.959 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.89 -18.22 0.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.092 -1.005 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' B' ' 60' ' ' LEU . 87.7 mt-10 -100.25 41.03 1.19 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.341 1.067 . . . . 0.0 109.457 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 65' ' ' ASP . 18.2 p-10 -44.84 -34.13 2.21 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.084 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.29 -6.18 0.01 OUTLIER Glycine 0 N--CA 1.492 2.416 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.365 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' B' ' 63' ' ' ASP . 54.1 t0 -104.39 -31.41 9.53 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 120.708 -1.466 . . . . 0.0 111.878 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 -27.83 18.31 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 119.97 -1.706 . . . . 0.0 109.022 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.61 130.6 15.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.187 -1.184 . . . . 0.0 109.718 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 11.5 m -104.02 126.88 51.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.154 -0.967 . . . . 0.0 109.41 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 23.8 t70 -81.27 -172.32 3.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.215 -0.928 . . . . 0.0 109.901 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.471 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 26.3 t80 -74.27 -28.87 61.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 108.806 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -63.82 -36.04 82.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.858 -1.151 . . . . 0.0 108.526 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.04 -24.91 61.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.521 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.0 OUTLIER -73.2 -41.89 63.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -0.849 . . . . 0.0 108.713 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.79 -51.84 55.72 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.285 -1.509 . . . . 0.0 108.487 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.29 46.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.249 -1.532 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.89 -36.96 78.04 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.877 -1.14 . . . . 0.0 109.181 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 73' ' ' PHE . 41.5 t -69.76 -34.13 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.895 . . . . 0.0 108.951 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.72 41.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.58 -36.47 34.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 110.488 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 80.5 t -72.87 -47.96 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.719 -1.238 . . . . 0.0 109.367 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.17 -36.95 75.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.186 -0.947 . . . . 0.0 108.817 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -69.22 -26.65 64.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 109.844 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.438 ' HB1' HG21 ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.83 -35.78 57.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.15 -0.968 . . . . 0.0 109.51 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.74 -53.27 49.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.256 -0.902 . . . . 0.0 109.991 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.69 -47.45 73.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.953 -1.092 . . . . 0.0 109.018 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.76 -43.36 58.28 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.711 0.767 . . . . 0.0 109.991 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.665 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.38 -35.87 54.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.75 -0.594 . . . . 0.0 111.614 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.57 -49.28 78.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.068 -1.645 . . . . 0.0 107.797 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -62.15 -35.28 68.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 108.706 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -60.24 -48.55 81.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.003 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.5 mp -44.85 -38.38 4.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 109.079 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.572 HD12 ' N ' ' A' ' 11' ' ' ILE . 2.0 mp -67.14 -38.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . 16.1 t70 -49.72 -54.86 16.35 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.722 0.772 . . . . 0.0 109.404 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.42 -35.92 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.669 -0.644 . . . . 0.0 110.722 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.1 -35.92 82.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.342 -1.474 . . . . 0.0 108.805 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -79.81 -30.48 40.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.478 -0.764 . . . . 0.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.78 -45.64 74.32 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.413 -0.804 . . . . 0.0 109.855 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.19 54.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.039 -1.038 . . . . 0.0 108.997 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -97.92 60.44 1.49 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.452 -0.78 . . . . 0.0 109.824 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.9 -13.83 5.88 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.93 -30.69 71.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.453 -1.028 . . . . 0.0 108.604 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.4 mt-10 -148.44 -44.8 0.15 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.66 -1.275 . . . . 0.0 109.758 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.27 16.35 0.16 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 23.4 t0 -48.55 -58.74 4.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -1.122 . . . . 0.0 108.234 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -89.98 159.75 16.73 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -111.66 46.43 1.12 Allowed 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -132.69 147.62 52.33 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.34 142.09 50.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.82 17.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.949 -1.094 . . . . 0.0 109.984 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.9 -38.83 79.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.882 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.61 -42.56 99.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -0.863 . . . . 0.0 110.905 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -33.85 63.14 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.914 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.88 -42.15 97.55 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.7 -57.36 11.8 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.521 -1.362 . . . . 0.0 108.771 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.57 -38.47 54.55 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.759 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.91 -38.45 86.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.04 -36.81 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.782 -1.199 . . . . 0.0 109.087 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.9 m-20 -63.79 -32.14 73.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.526 -0.734 . . . . 0.0 111.942 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -106.63 5.29 28.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.089 -1.007 . . . . 0.0 111.662 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.4 -27.25 4.12 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.926 -1.109 . . . . 0.0 111.084 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.2 mt -115.68 30.95 7.02 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.163 -0.961 . . . . 0.0 109.529 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 23.8 m -73.63 -26.76 60.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 42' ' ' HIS . 16.6 t-80 -73.4 -50.8 19.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.898 -1.126 . . . . 0.0 110.041 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -65.48 -26.63 68.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -54.25 -23.19 13.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.309 -0.869 . . . . 0.0 109.393 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.3 -41.35 34.09 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.972 -1.08 . . . . 0.0 109.527 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -87.82 60.78 6.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.94 101.61 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.442 -0.786 . . . . 0.0 109.069 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -84.32 -42.06 16.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.0 108.932 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.22 106.41 18.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 0.0 108.845 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.05 -22.01 29.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.874 -1.141 . . . . 0.0 110.743 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.28 -23.31 60.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.921 -1.112 . . . . 0.0 111.222 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 52' ' ' VAL . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.433 -1.417 . . . . 0.0 108.585 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.99 -34.61 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.582 -1.324 . . . . 0.0 108.696 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.06 -44.53 87.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.369 -0.832 . . . . 0.0 109.685 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.37 -26.31 64.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 109.908 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.73 -57.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.734 -1.229 . . . . 0.0 108.474 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.61 -25.76 11.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.07 -33.69 20.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.988 -1.07 . . . . 0.0 108.948 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -68.12 -47.59 67.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.826 -1.171 . . . . 0.0 108.049 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 76' ' ' PHE . 50.2 mt -59.25 -57.19 14.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 108.372 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -21.66 2.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.061 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -102.94 41.77 1.22 Allowed 'General case' 0 N--CA 1.499 1.982 0 CA-C-O 122.233 1.016 . . . . 0.0 109.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 65' ' ' ASP . 28.2 t0 -43.97 -36.16 2.35 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.672 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.3 -10.77 0.01 OUTLIER Glycine 0 N--CA 1.496 2.698 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.403 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.7 p30 -106.86 -31.51 8.34 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 119.424 1.612 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.66 -25.45 26.65 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 119.916 -1.74 . . . . 0.0 109.496 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -150.14 129.77 13.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.939 -1.33 . . . . 0.0 110.361 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.89 52.49 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.18 -0.95 . . . . 0.0 108.829 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 31.2 t0 -83.31 -173.49 4.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.173 -0.954 . . . . 0.0 110.193 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.459 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 30.7 t80 -74.34 -27.03 60.5 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.3 -42.65 92.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.01 -24.9 65.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.22 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 26.5 t80 -76.37 -39.79 52.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.411 -0.806 . . . . 0.0 108.883 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.68 -28.07 65.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.56 -1.337 . . . . 0.0 108.749 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.15 -46.03 21.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.418 -1.426 . . . . 0.0 109.924 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' CG ' HD21 ' A' ' 60' ' ' LEU . 20.2 m-85 -66.65 -32.59 74.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.58 -1.325 . . . . 0.0 109.068 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.569 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 21.7 t -62.77 -35.14 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.269 -0.894 . . . . 0.0 108.867 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -69.65 -51.95 30.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.516 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 51.7 mtp -49.75 -38.72 34.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.57 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.81 -45.27 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.121 -0.987 . . . . 0.0 109.624 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 m -69.58 -41.6 75.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 108.841 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 p -74.05 -22.73 59.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.931 -1.106 . . . . 0.0 108.828 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.88 -35.78 58.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.095 -1.003 . . . . 0.0 109.51 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -53.31 49.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 110.058 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -54.71 -47.4 73.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.978 -1.076 . . . . 0.0 109.004 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.79 -43.35 58.61 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.717 0.77 . . . . 0.0 109.976 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.665 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.42 -35.75 53.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.762 -0.586 . . . . 0.0 111.672 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.62 -49.29 78.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.043 -1.661 . . . . 0.0 107.76 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.14 -35.26 67.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 108.731 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -60.26 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 108.974 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.5 mp -44.79 -38.37 4.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.232 -0.918 . . . . 0.0 109.116 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.565 HD12 ' N ' ' B' ' 11' ' ' ILE . 2.0 mp -67.14 -38.79 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 9' ' ' ALA . 16.0 t70 -49.72 -54.85 16.41 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.714 0.769 . . . . 0.0 109.422 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.51 -35.87 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.693 -0.629 . . . . 0.0 110.709 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.339 -1.476 . . . . 0.0 108.831 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -79.8 -30.47 40.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.737 . . . . 0.0 109.721 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.74 -45.7 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.2 54.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.006 -1.059 . . . . 0.0 108.979 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.2 p -97.87 60.41 1.5 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.842 . . . . 0.0 109.878 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.95 -13.75 5.88 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.95 -30.77 71.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.444 -1.033 . . . . 0.0 108.589 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -148.37 -44.78 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.658 -1.276 . . . . 0.0 109.73 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.31 16.24 0.16 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 21' ' ' GLU . 23.4 t0 -48.45 -58.74 4.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -1.175 . . . . 0.0 108.264 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -90.01 159.84 16.66 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -111.68 46.4 1.13 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -132.69 147.65 52.33 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.36 142.12 50.29 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.81 17.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.969 -1.082 . . . . 0.0 110.019 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.579 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -58.94 -38.83 79.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.57 -42.58 99.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.422 -0.798 . . . . 0.0 110.921 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.36 -33.82 63.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.909 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.88 -42.14 97.55 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.8 -57.28 12.19 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.522 -1.362 . . . . 0.0 108.758 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.54 -38.55 54.75 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.772 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.89 -38.43 86.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -0.963 . . . . 0.0 109.295 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.98 -36.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.768 -1.207 . . . . 0.0 109.105 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.9 m-20 -63.76 -32.18 73.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.494 -0.754 . . . . 0.0 111.921 -177.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -106.66 5.39 28.85 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.106 -0.996 . . . . 0.0 111.698 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -123.38 -27.31 4.11 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.95 -1.094 . . . . 0.0 111.073 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 mt -115.7 30.93 7.03 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.123 -0.985 . . . . 0.0 109.487 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 23.3 m -73.67 -26.69 60.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.0 110.124 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.41 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 16.6 t-80 -73.44 -50.82 19.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.911 -1.118 . . . . 0.0 109.978 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.44 -26.63 68.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -0.964 . . . . 0.0 109.716 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -23.25 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.404 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.22 -41.4 34.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.011 -1.056 . . . . 0.0 109.523 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -87.75 60.79 6.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.265 -0.897 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm -119.98 101.53 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.486 -0.759 . . . . 0.0 109.088 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -84.25 -42.06 16.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 108.968 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.19 106.41 18.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.205 -0.934 . . . . 0.0 108.819 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.11 -22.0 29.06 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.872 -1.143 . . . . 0.0 110.729 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -73.23 -23.29 60.35 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.899 -1.126 . . . . 0.0 111.217 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.404 -1.435 . . . . 0.0 108.608 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.94 -34.61 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.668 -1.27 . . . . 0.0 108.755 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.08 -44.45 87.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.393 -0.817 . . . . 0.0 109.691 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.41 -26.34 64.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.75 -57.25 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.758 -1.214 . . . . 0.0 108.45 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.47 -25.89 11.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.751 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.07 -33.65 20.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.056 -1.028 . . . . 0.0 108.866 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 m -68.22 -47.48 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.857 -1.152 . . . . 0.0 108.016 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.423 HD21 ' CG ' ' B' ' 76' ' ' PHE . 50.1 mt -59.31 -57.14 14.31 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.645 -1.284 . . . . 0.0 108.385 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.09 -21.6 1.99 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.161 -0.962 . . . . 0.0 109.099 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -102.93 41.86 1.21 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.241 1.02 . . . . 0.0 109.437 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 28.2 t0 -44.02 -36.14 2.38 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.236 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.25 -10.91 0.01 OUTLIER Glycine 0 N--CA 1.494 2.518 0 O-C-N 122.002 -0.436 . . . . 0.0 112.482 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.7 p30 -106.82 -31.47 8.37 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-N 119.374 1.587 . . . . 0.0 112.273 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.73 -25.46 26.56 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 119.92 -1.738 . . . . 0.0 109.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -150.08 129.8 13.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.971 -1.311 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.94 52.54 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.246 -0.909 . . . . 0.0 108.857 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 31.1 t0 -83.33 -173.48 4.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.153 -0.967 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.469 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 30.7 t80 -74.36 -27.01 60.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.37 -42.59 92.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.147 -0.971 . . . . 0.0 108.796 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -24.87 65.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 109.208 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 26.4 t80 -76.4 -39.86 52.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.395 -0.816 . . . . 0.0 108.819 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.61 -28.1 65.65 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.493 -1.379 . . . . 0.0 108.803 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.14 -45.99 21.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.423 -1.423 . . . . 0.0 109.953 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.423 ' CG ' HD21 ' B' ' 60' ' ' LEU . 20.0 m-85 -66.74 -32.53 73.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.541 -1.349 . . . . 0.0 109.04 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.564 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 21.7 t -62.77 -35.17 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 108.857 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.66 -52.01 29.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.149 -0.97 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 51.5 mtp -49.7 -38.7 34.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.293 -0.879 . . . . 0.0 110.568 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.85 -45.24 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.012 -1.055 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.7 m -69.51 -41.64 75.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.955 -1.091 . . . . 0.0 108.873 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 p -74.08 -22.74 59.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.991 -1.068 . . . . 0.0 108.846 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.07 70.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -60.45 -49.15 78.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.438 -0.788 . . . . 0.0 109.548 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.41 -47.54 62.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.973 -1.08 . . . . 0.0 109.289 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.52 -44.98 56.42 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.878 0.847 . . . . 0.0 109.516 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.73 -36.88 59.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.881 -0.512 . . . . 0.0 111.012 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.91 79.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.377 -1.452 . . . . 0.0 107.748 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.04 -36.57 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.192 -0.942 . . . . 0.0 108.615 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.87 -47.37 85.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -45.73 -43.6 13.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.091 -1.006 . . . . 0.0 109.224 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.7 mp -64.64 -39.78 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 29.7 t0 -51.32 -54.07 29.83 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.545 0.688 . . . . 0.0 109.995 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.44 -45.4 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.553 -0.717 . . . . 0.0 110.725 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.32 -33.65 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.616 -1.302 . . . . 0.0 108.949 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.0 -30.88 31.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.512 -0.743 . . . . 0.0 110.078 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -53.63 -44.79 69.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 0.0 109.657 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.66 -46.86 44.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.147 -0.971 . . . . 0.0 108.814 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -99.54 57.51 1.03 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -0.794 . . . . 0.0 109.92 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.33 -13.73 6.21 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 107.794 -2.123 . . . . 0.0 107.794 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -64.02 -29.24 70.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.465 -1.021 . . . . 0.0 108.809 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 38.2 mt-10 -147.48 -46.1 0.17 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.675 -1.266 . . . . 0.0 109.944 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.75 14.84 0.13 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.7 t0 -47.98 -53.49 15.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -1.186 . . . . 0.0 108.654 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -89.59 -179.62 5.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 19.7 t-160 -131.69 43.96 2.98 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.54 150.92 49.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.691 -0.631 . . . . 0.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' CYS . 18.0 tp -121.14 143.35 49.15 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -93.04 154.89 17.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.881 -1.137 . . . . 0.0 109.755 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.53 -40.97 84.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.231 -0.918 . . . . 0.0 109.908 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.2 m -58.62 -40.04 82.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.369 -0.832 . . . . 0.0 111.104 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.62 -35.89 44.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 108.969 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.96 -44.05 94.67 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -53.0 -57.68 9.54 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.56 -1.338 . . . . 0.0 108.523 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -51.48 -38.7 55.15 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.82 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -67.63 -38.23 83.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.206 -0.934 . . . . 0.0 109.602 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.63 -33.52 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.953 -1.092 . . . . 0.0 109.223 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -67.3 -45.73 75.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 112.045 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.53 5.1 47.0 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.862 -1.149 . . . . 0.0 111.686 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.98 -25.42 4.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.941 -1.099 . . . . 0.0 110.475 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.6 29.26 7.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.246 -0.909 . . . . 0.0 109.738 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.1 p -72.18 -53.09 13.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.585 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 41' ' ' SER . 70.4 t60 -54.88 -50.34 68.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -61.35 -29.32 69.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 109.415 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.39 -29.0 3.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.576 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -79.7 -40.39 29.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.26 57.55 4.31 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.13 -0.981 . . . . 0.0 110.656 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.57 126.3 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 4.0 mptp? -93.15 -58.45 2.31 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.444 -0.785 . . . . 0.0 109.304 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.14 108.22 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 0.0 109.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.9 -23.04 31.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.219 -0.925 . . . . 0.0 109.418 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.57 -20.58 61.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 0.0 109.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.15 -47.25 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.89 -32.47 54.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.033 -1.042 . . . . 0.0 109.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.97 90.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.402 -0.811 . . . . 0.0 110.365 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -69.58 -26.18 64.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.211 -0.931 . . . . 0.0 110.11 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -56.55 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.771 -1.206 . . . . 0.0 108.419 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.86 -25.6 12.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.325 -0.859 . . . . 0.0 109.988 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.08 -34.03 19.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.811 -1.18 . . . . 0.0 109.254 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -69.02 -48.32 63.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.865 -1.147 . . . . 0.0 108.076 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 76' ' ' PHE . 11.0 mp -58.44 -56.97 15.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.556 -1.34 . . . . 0.0 107.724 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.36 -23.3 2.27 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.288 -0.882 . . . . 0.0 109.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -102.3 40.21 1.38 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 122.103 0.954 . . . . 0.0 109.401 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.5 t0 -44.49 -35.87 2.69 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 121.617 0.722 . . . . 0.0 109.612 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.53 -8.3 0.01 OUTLIER Glycine 0 N--CA 1.495 2.579 0 C-N-CA 121.224 -0.512 . . . . 0.0 111.947 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.7 t70 -104.81 -31.24 9.4 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 119.348 1.574 . . . . 0.0 111.941 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.35 -26.83 23.14 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 119.887 -1.758 . . . . 0.0 109.387 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -146.9 129.15 15.71 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -1.175 . . . . 0.0 109.574 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' LEU . 4.0 m -102.61 125.76 49.45 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 109.0 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 6.9 p30 -83.62 -173.27 4.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.313 -0.867 . . . . 0.0 110.278 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -75.34 -34.23 61.18 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.78 -38.1 77.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.961 -1.087 . . . . 0.0 108.644 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.1 mm-40 -71.76 -24.47 61.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.455 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 77' ' ' VAL . 56.5 t80 -72.43 -40.36 67.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 5.5 mmt -66.74 -54.24 24.95 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.406 -1.434 . . . . 0.0 108.457 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.55 70.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.384 -1.448 . . . . 0.0 111.209 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 60' ' ' LEU . 15.7 m-85 -69.08 -35.56 76.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.648 -1.282 . . . . 0.0 109.728 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 73' ' ' PHE . 24.2 t -63.75 -32.54 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.82 -52.91 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.896 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.52 -39.93 36.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.48 -47.21 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.007 -1.058 . . . . 0.0 109.316 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -63.44 -41.01 98.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.235 -0.915 . . . . 0.0 108.65 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.4 p -74.34 -20.82 59.96 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.752 . . . . 0.0 109.831 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 120.968 -1.083 . . . . 0.0 108.43 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.01 70.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 109.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.43 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.1 tt -60.48 -49.15 78.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.436 -0.79 . . . . 0.0 109.571 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.37 -47.56 62.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.948 -1.095 . . . . 0.0 109.304 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.55 -44.94 56.69 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 109.491 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.76 -36.88 59.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.863 -0.523 . . . . 0.0 111.02 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.89 79.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.445 -1.409 . . . . 0.0 107.769 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -62.0 -36.58 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.222 -0.924 . . . . 0.0 108.619 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -58.93 -47.27 85.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.303 -0.873 . . . . 0.0 109.399 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.3 mp -45.78 -43.62 13.29 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.102 -0.998 . . . . 0.0 109.227 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.62 HD12 ' N ' ' B' ' 11' ' ' ILE . 1.7 mp -64.59 -39.78 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 9' ' ' ALA . 29.9 t0 -51.39 -54.08 30.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.565 0.697 . . . . 0.0 109.991 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.4 -45.43 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.483 -0.761 . . . . 0.0 110.765 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.28 -33.64 59.11 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.575 -1.328 . . . . 0.0 108.987 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -82.08 -30.74 31.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.104 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.7 -44.76 70.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.191 -0.943 . . . . 0.0 109.684 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.64 -46.93 43.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.1 -1.0 . . . . 0.0 108.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.4 p -99.5 57.48 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.527 -0.733 . . . . 0.0 109.959 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.24 -13.78 6.24 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 107.835 -2.106 . . . . 0.0 107.835 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.94 -29.27 70.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.47 -1.018 . . . . 0.0 108.846 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 38.2 mt-10 -147.5 -45.99 0.17 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.695 -1.253 . . . . 0.0 109.98 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.71 14.85 0.13 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.7 t0 -48.03 -53.45 16.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.166 . . . . 0.0 108.654 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.42 ' HZ3' ' HB2' ' B' ' 24' ' ' LYS . 18.9 mtmm -89.57 -179.62 5.84 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 19.7 t-160 -131.77 43.99 2.97 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.6 150.93 49.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.691 -0.63 . . . . 0.0 109.359 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 68' ' ' CYS . 18.0 tp -121.15 143.32 49.17 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -92.99 154.86 17.9 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.873 -1.142 . . . . 0.0 109.775 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.47 -41.02 84.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.201 -0.937 . . . . 0.0 109.948 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.3 m -58.61 -40.04 82.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.821 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.63 -35.93 44.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.927 -1.108 . . . . 0.0 108.952 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.88 -44.07 94.38 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -52.96 -57.72 9.38 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.573 -1.329 . . . . 0.0 108.496 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -51.52 -38.69 55.33 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.384 -0.926 . . . . 0.0 108.812 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.67 -38.23 83.47 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.178 -0.951 . . . . 0.0 109.545 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.62 -33.51 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.871 -1.143 . . . . 0.0 109.266 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.29 -45.76 75.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.257 -0.902 . . . . 0.0 112.019 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.5 5.04 47.2 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.805 -1.184 . . . . 0.0 111.733 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.95 -25.43 4.58 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.996 -1.065 . . . . 0.0 110.494 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.62 29.27 7.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.336 -0.853 . . . . 0.0 109.667 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 4.1 p -72.1 -53.15 13.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.422 ' N ' ' OG ' ' B' ' 41' ' ' SER . 70.3 t60 -54.93 -50.27 69.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.057 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -61.36 -29.38 69.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.364 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.543 ' O ' HD23 ' B' ' 44' ' ' LEU . 0.9 OUTLIER -48.39 -28.97 3.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.577 -179.609 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -79.74 -40.4 28.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.053 -1.03 . . . . 0.0 110.381 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -84.29 57.58 4.33 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.213 -0.929 . . . . 0.0 110.665 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.52 126.34 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 4.0 mptp? -93.13 -58.51 2.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.763 . . . . 0.0 109.307 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.12 108.26 5.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 0.0 109.758 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.01 -22.94 31.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.72 -20.46 61.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.141 -0.974 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.18 -47.32 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.698 -1.251 . . . . 0.0 107.668 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.82 -32.48 54.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.088 -1.007 . . . . 0.0 109.496 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.99 90.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.781 . . . . 0.0 110.392 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -69.6 -26.14 64.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.076 -1.015 . . . . 0.0 110.139 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.22 -56.59 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 120.728 -1.232 . . . . 0.0 108.424 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.91 -25.57 12.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.4 -0.813 . . . . 0.0 109.976 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.02 -34.13 19.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.873 -1.142 . . . . 0.0 109.27 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.96 -48.35 63.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.865 -1.147 . . . . 0.0 108.069 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' B' ' 76' ' ' PHE . 11.0 mp -58.46 -56.92 15.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.576 -1.328 . . . . 0.0 107.742 177.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.37 -23.31 2.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -102.17 40.18 1.38 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.105 0.955 . . . . 0.0 109.717 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' B' ' 65' ' ' ASP . 29.1 t0 -44.33 -35.97 2.59 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.161 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.4 -8.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.279 0 C-N-CA 121.152 -0.546 . . . . 0.0 112.13 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 63' ' ' ASP . 11.8 t70 -104.74 -31.31 9.4 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 119.237 1.518 . . . . 0.0 111.934 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.45 -26.89 22.91 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 119.898 -1.751 . . . . 0.0 109.403 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -146.92 129.13 15.67 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.182 -1.187 . . . . 0.0 109.615 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' B' ' 27' ' ' LEU . 4.0 m -102.64 125.86 49.52 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.01 -1.056 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -83.72 -173.18 4.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.24 -0.912 . . . . 0.0 110.293 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.42 -34.21 60.99 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.75 -38.14 77.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 108.61 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.77 -24.52 61.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.426 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.56 ' O ' HG23 ' B' ' 77' ' ' VAL . 56.3 t80 -72.47 -40.27 67.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.206 -0.934 . . . . 0.0 108.741 177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 5.5 mmt -66.76 -54.2 25.26 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.399 -1.438 . . . . 0.0 108.478 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.49 70.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.362 -1.461 . . . . 0.0 111.227 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.447 ' CD1' HD11 ' B' ' 60' ' ' LEU . 15.5 m-85 -69.14 -35.6 76.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.685 -1.259 . . . . 0.0 109.685 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 73' ' ' PHE . 24.2 t -63.68 -32.5 57.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.94 -52.84 15.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.0 109.834 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.59 -39.91 36.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.216 -0.928 . . . . 0.0 110.446 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.46 -47.17 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m -63.42 -41.08 98.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.237 -0.914 . . . . 0.0 108.599 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -74.34 -20.81 59.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.552 -0.717 . . . . 0.0 109.832 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.105 . . . . 0.0 108.399 179.66 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.36 -34.09 73.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.138 -0.976 . . . . 0.0 109.386 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.7 tt -59.7 -48.0 83.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.283 -0.886 . . . . 0.0 109.421 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.89 -43.97 49.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.076 -1.015 . . . . 0.0 109.339 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.51 -42.29 54.7 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.863 0.84 . . . . 0.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.34 -29.5 57.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.792 -0.567 . . . . 0.0 111.175 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -47.06 76.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.498 -1.376 . . . . 0.0 108.038 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.48 -37.23 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.231 -0.918 . . . . 0.0 109.511 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -47.98 80.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.125 -0.984 . . . . 0.0 108.826 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -47.68 -48.46 29.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 109.093 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.21 -43.55 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.1 -50.82 47.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.581 0.705 . . . . 0.0 110.175 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.54 -46.24 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.312 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.97 -35.25 64.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.26 -1.525 . . . . 0.0 109.033 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -77.62 -31.63 52.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 0.0 110.045 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.36 74.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.911 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -71.31 -45.37 63.2 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.997 -1.064 . . . . 0.0 109.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -99.96 60.91 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.07 -13.87 6.28 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.52 -31.67 72.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -1.026 . . . . 0.0 108.86 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 53.3 mm-40 -145.04 -44.99 0.23 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.682 -1.261 . . . . 0.0 109.741 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.85 15.11 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.1 t70 -47.69 -61.43 1.94 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -1.177 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -89.79 177.97 6.37 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 30.3 p-80 -124.69 46.49 2.31 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.18 148.59 52.03 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.812 -0.555 . . . . 0.0 109.646 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 tp -124.48 140.94 52.48 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -94.31 150.58 20.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.079 -1.013 . . . . 0.0 109.997 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.05 82.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.827 . . . . 0.0 110.573 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.38 -42.29 86.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.14 -33.56 33.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.083 -1.01 . . . . 0.0 108.454 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.11 -46.01 90.94 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.42 14.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 108.806 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.56 -34.94 8.32 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.455 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.36 -41.04 81.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.928 -1.107 . . . . 0.0 109.3 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.49 -44.2 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.749 -1.219 . . . . 0.0 109.802 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 1.2 m-20 -58.72 -52.18 66.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -0.881 . . . . 0.0 111.125 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -88.0 1.96 52.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.232 -0.918 . . . . 0.0 111.242 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.76 -30.08 9.65 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.972 -1.08 . . . . 0.0 110.819 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.6 mt -122.99 25.44 8.56 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.314 -0.866 . . . . 0.0 109.856 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.57 -58.98 5.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.412 -0.805 . . . . 0.0 109.699 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 42' ' ' HIS . 3.7 m80 -62.49 -43.62 98.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -29.29 67.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.56 -48.27 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 0.0 109.884 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.19 -36.91 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 110.111 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.33 58.05 3.91 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.199 -0.938 . . . . 0.0 110.872 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 48' ' ' LYS . 88.5 mt -126.37 158.57 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.292 -0.88 . . . . 0.0 108.874 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 47' ' ' ILE . 56.4 mttp -145.61 -42.74 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.105 -0.997 . . . . 0.0 108.674 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.92 64.24 8.54 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.79 -30.05 1.53 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.416 -0.802 . . . . 0.0 110.954 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.45 -24.26 61.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.102 -0.999 . . . . 0.0 110.346 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.61 -48.81 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.39 -31.55 53.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 108.643 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.9 -47.95 84.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.462 -0.774 . . . . 0.0 109.97 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -66.51 -27.06 67.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.009 . . . . 0.0 109.572 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.14 -56.1 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.693 -1.255 . . . . 0.0 107.895 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.22 -29.85 34.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.493 -0.754 . . . . 0.0 109.768 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -86.98 -37.53 17.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.908 -1.12 . . . . 0.0 109.215 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.8 m -68.01 -43.89 77.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' C ' ' N ' ' A' ' 62' ' ' GLU . 7.7 tp -64.47 -57.14 10.06 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 108.034 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.15 -19.09 0.68 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.168 -0.958 . . . . 0.0 109.023 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 60' ' ' LEU . 8.8 mm-40 -102.42 42.37 1.15 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.283 1.04 . . . . 0.0 109.002 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' A' ' 65' ' ' ASP . 24.2 p-10 -44.18 -34.79 1.96 Allowed 'General case' 0 C--N 1.274 -2.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.661 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -8.8 0.01 OUTLIER Glycine 0 N--CA 1.498 2.803 0 O-C-N 122.041 -0.412 . . . . 0.0 112.332 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 63' ' ' ASP . 3.7 p30 -104.71 -31.45 9.35 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 119.386 1.593 . . . . 0.0 111.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 103.2 -27.3 20.63 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 119.949 -1.719 . . . . 0.0 109.369 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.49 130.95 16.69 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.179 -1.189 . . . . 0.0 109.543 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 m -107.9 127.81 54.06 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.128 -0.982 . . . . 0.0 109.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 14.6 t70 -83.79 -172.24 4.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.254 -0.903 . . . . 0.0 109.885 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.439 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 24.1 t80 -73.24 -37.41 66.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.372 -0.83 . . . . 0.0 108.838 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.925 -1.109 . . . . 0.0 108.995 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.91 -24.79 60.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.164 -0.96 . . . . 0.0 109.978 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.7 t80 -76.15 -39.91 53.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.201 -0.937 . . . . 0.0 109.378 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.15 -28.86 65.69 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.44 -1.413 . . . . 0.0 109.318 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.15 -56.58 4.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.258 -1.527 . . . . 0.0 110.775 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.75 -32.6 65.75 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.541 -1.349 . . . . 0.0 109.575 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 73' ' ' PHE . 55.0 t -69.94 -32.86 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -69.14 -48.18 63.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.123 -0.985 . . . . 0.0 110.261 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.3 mtt -54.21 -53.03 59.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.842 -1.161 . . . . 0.0 110.082 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.6 -48.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.286 -0.884 . . . . 0.0 109.567 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -68.1 -40.13 82.68 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.076 -1.015 . . . . 0.0 108.576 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.915 . . . . 0.0 108.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.33 -34.09 73.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.39 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.458 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.7 tt -59.71 -48.06 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.402 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.9 -43.91 49.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 0.0 109.316 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.58 -42.26 55.46 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.845 0.831 . . . . 0.0 109.761 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.36 -29.49 57.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.783 -0.573 . . . . 0.0 111.2 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -46.98 76.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.512 -1.368 . . . . 0.0 108.13 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.56 -37.17 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.493 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.94 80.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.995 . . . . 0.0 108.847 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -47.74 -48.44 29.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 0.0 109.026 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.33 -43.48 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.08 -50.82 46.81 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.544 0.688 . . . . 0.0 110.167 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.59 -46.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.535 -0.728 . . . . 0.0 111.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -54.95 -35.31 64.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.215 -1.553 . . . . 0.0 108.984 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -77.6 -31.68 53.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.5 -0.75 . . . . 0.0 110.016 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.4 74.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.824 . . . . 0.0 109.937 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -71.21 -45.43 63.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.07 . . . . 0.0 109.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -99.99 60.89 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.359 -0.838 . . . . 0.0 110.167 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.02 -13.88 6.31 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.874 -2.09 . . . . 0.0 107.874 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.55 -31.58 72.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.511 -0.993 . . . . 0.0 108.93 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 53.4 mm-40 -145.04 -45.06 0.23 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.646 -1.284 . . . . 0.0 109.762 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.92 15.03 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 11.1 t70 -47.6 -61.53 1.88 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.24 -1.153 . . . . 0.0 108.599 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -89.73 178.04 6.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 30.4 p-80 -124.73 46.45 2.32 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.1 148.61 51.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.81 -0.556 . . . . 0.0 109.618 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 27' ' ' LEU . 19.3 tp -124.5 140.94 52.47 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -94.29 150.53 20.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.993 -1.067 . . . . 0.0 110.021 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.1 82.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.35 -42.28 86.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.13 -33.56 33.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.022 . . . . 0.0 108.463 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.1 -46.07 90.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.38 14.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.485 -1.384 . . . . 0.0 108.847 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.57 -34.94 8.37 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.448 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.34 -41.09 81.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 109.291 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.55 -44.16 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.799 -1.188 . . . . 0.0 109.749 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m-20 -58.74 -52.24 66.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 111.02 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -87.93 1.96 52.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.238 -0.914 . . . . 0.0 111.282 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.78 -30.07 9.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.963 -1.086 . . . . 0.0 110.837 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 66.5 mt -123.04 25.44 8.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.35 -0.844 . . . . 0.0 109.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -55.58 -59.04 5.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.838 . . . . 0.0 109.656 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' B' ' 42' ' ' HIS . 3.7 m80 -62.45 -43.58 98.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.087 -1.008 . . . . 0.0 109.741 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -29.29 67.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.882 . . . . 0.0 109.09 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.52 -48.31 27.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.517 -0.74 . . . . 0.0 109.889 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.11 -36.95 61.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.95 -1.094 . . . . 0.0 110.146 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.34 58.06 3.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.166 -0.959 . . . . 0.0 110.898 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.473 HG22 ' N ' ' B' ' 48' ' ' LYS . 89.0 mt -126.31 158.57 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.31 -0.868 . . . . 0.0 108.92 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' HG22 ' B' ' 47' ' ' ILE . 56.4 mttp -145.64 -42.82 0.22 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.183 -0.948 . . . . 0.0 108.634 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.88 64.2 8.49 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.71 -30.08 1.48 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 111.005 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.43 -24.26 62.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.991 -1.068 . . . . 0.0 110.313 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.68 -48.72 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.44 -31.51 53.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.065 -1.022 . . . . 0.0 108.637 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.97 -47.92 84.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -66.46 -27.09 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.027 . . . . 0.0 109.601 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.14 -56.11 18.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 120.696 -1.253 . . . . 0.0 107.885 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.25 -29.83 34.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.751 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -86.92 -37.58 17.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.927 -1.108 . . . . 0.0 109.228 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 13.8 m -68.01 -43.9 77.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' B' ' 62' ' ' GLU . 7.8 tp -64.5 -57.16 9.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.794 -1.191 . . . . 0.0 107.999 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.06 -19.05 0.65 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.159 -0.963 . . . . 0.0 109.082 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 60' ' ' LEU . 8.8 mm-40 -102.53 42.49 1.14 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 122.327 1.06 . . . . 0.0 109.188 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 65' ' ' ASP . 24.0 p-10 -44.05 -34.94 1.91 Allowed 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.341 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' B' ' 63' ' ' ASP . . . 51.09 -8.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 C-N-CA 121.44 -0.41 . . . . 0.0 112.526 178.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' B' ' 63' ' ' ASP . 3.6 p30 -104.71 -31.49 9.33 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.288 1.544 . . . . 0.0 111.973 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 103.29 -27.35 20.35 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.919 -1.738 . . . . 0.0 109.333 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.46 130.95 16.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.147 -1.208 . . . . 0.0 109.543 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.87 127.76 54.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 109.483 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 14.6 t70 -83.75 -172.28 4.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.206 -0.934 . . . . 0.0 109.914 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.437 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 24.2 t80 -73.25 -37.38 66.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.384 -0.822 . . . . 0.0 108.812 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.897 -1.127 . . . . 0.0 108.965 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -72.91 -24.82 60.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 109.936 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.499 ' O ' HG23 ' B' ' 77' ' ' VAL . 61.4 t80 -76.19 -39.96 53.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.185 -0.947 . . . . 0.0 109.36 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.09 -28.88 65.77 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.431 -1.418 . . . . 0.0 109.324 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.07 -56.67 4.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.213 -1.554 . . . . 0.0 110.816 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.79 -32.5 65.74 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.548 -1.345 . . . . 0.0 109.625 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 73' ' ' PHE . 55.1 t -69.95 -32.84 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.0 109.642 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -69.23 -48.15 62.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.02 . . . . 0.0 110.238 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.2 mtt -54.13 -53.1 57.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.871 -1.143 . . . . 0.0 110.121 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.67 -48.35 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.474 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -68.04 -40.15 82.92 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.066 -1.021 . . . . 0.0 108.599 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -72.17 -19.62 61.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.426 -0.796 . . . . 0.0 109.252 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.97 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.57 -33.2 67.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.172 -0.955 . . . . 0.0 109.811 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.6 tt -63.68 -43.9 95.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.46 -48.16 66.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.825 -1.172 . . . . 0.0 108.987 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.1 -42.5 50.38 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.721 0.772 . . . . 0.0 110.128 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.597 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.87 -29.82 55.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.631 -0.668 . . . . 0.0 111.133 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.56 -48.21 80.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.418 -1.426 . . . . 0.0 107.955 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.88 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.3 -0.875 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.99 -48.07 81.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 108.363 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mt -46.14 -40.92 11.8 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.259 -0.901 . . . . 0.0 108.977 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.47 -40.94 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.2 t70 -49.86 -52.4 32.95 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.689 0.757 . . . . 0.0 109.865 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.8 t -76.72 -34.18 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.572 -0.705 . . . . 0.0 111.297 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.66 -35.52 81.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.324 -1.485 . . . . 0.0 109.323 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.05 -31.28 39.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 0.0 109.874 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -53.8 -45.19 70.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.392 -0.817 . . . . 0.0 109.542 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -72.86 -48.04 40.95 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.151 -0.968 . . . . 0.0 109.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -98.12 60.45 1.44 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.314 -0.866 . . . . 0.0 109.805 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.27 -11.94 7.15 Favored Glycine 0 N--CA 1.503 3.142 0 N-CA-C 108.119 -1.993 . . . . 0.0 108.119 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -63.7 -30.49 71.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.495 -1.003 . . . . 0.0 109.092 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 39.1 mt-10 -147.91 -44.93 0.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.665 -1.272 . . . . 0.0 110.012 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.48 14.12 0.18 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 46.1 t0 -47.56 -58.97 3.6 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -1.147 . . . . 0.0 108.459 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.97 176.42 7.66 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.12 46.08 2.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -132.57 149.57 52.29 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.264 0.554 . . . . 0.0 109.994 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' CYS . 19.1 tp -126.25 144.54 50.75 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -94.29 157.45 16.04 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.026 -1.046 . . . . 0.0 110.241 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -60.6 -40.09 90.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.336 -0.852 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -58.56 -40.84 84.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.855 . . . . 0.0 111.035 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.72 -41.26 38.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.99 -1.069 . . . . 0.0 108.868 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 32' ' ' LEU . 2.3 tt -55.16 -44.33 75.08 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' NZ ' ' CE ' ' A' ' 57' ' ' MET . 59.2 tttp -51.07 -55.96 14.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.404 -1.435 . . . . 0.0 108.972 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.33 -35.4 12.32 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.564 -0.855 . . . . 0.0 109.924 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.74 -43.83 79.01 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.659 -1.276 . . . . 0.0 109.36 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 mt -54.67 -35.76 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.706 -1.246 . . . . 0.0 109.793 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.06 -35.75 80.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.888 . . . . 0.0 111.755 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.62 -19.88 14.64 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.969 -1.082 . . . . 0.0 111.487 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 40' ' ' LEU . 3.4 mp0 -101.03 -26.38 13.73 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.847 -1.158 . . . . 0.0 110.255 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.4 mp -116.11 26.14 10.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.331 -0.855 . . . . 0.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.7 p -67.38 -51.63 49.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.864 . . . . 0.0 109.785 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.403 ' N ' ' OG ' ' A' ' 41' ' ' SER . 76.5 t60 -53.84 -40.54 66.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.126 -0.984 . . . . 0.0 110.019 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.96 -29.71 64.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.002 -1.062 . . . . 0.0 109.635 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -51.34 -25.88 6.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.186 -179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.6 37.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.005 -1.059 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.08 60.36 6.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.026 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -120.39 110.84 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.442 -0.786 . . . . 0.0 109.339 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 12.2 mptt -93.35 -49.65 5.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.197 -0.94 . . . . 0.0 109.147 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' GLU . 20.5 mt-10 -82.58 67.99 8.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.515 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -45.89 -21.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' GLU . 33.7 mt-10 -75.38 -23.35 57.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.247 -0.908 . . . . 0.0 110.073 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.25 -49.35 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.664 -1.272 . . . . 0.0 107.864 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.75 -33.75 63.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.971 -1.081 . . . . 0.0 108.693 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -58.66 -45.88 88.39 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.501 -0.75 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.75 -26.53 65.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.872 . . . . 0.0 109.783 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.02 -56.74 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.776 -1.203 . . . . 0.0 108.297 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.509 ' CE ' ' NZ ' ' A' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.39 39.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.489 -0.757 . . . . 0.0 110.127 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -85.6 -35.32 21.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.986 -1.072 . . . . 0.0 109.224 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.8 m -68.91 -43.88 74.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.678 -1.264 . . . . 0.0 108.123 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.489 HD21 ' CG ' ' A' ' 76' ' ' PHE . 91.2 mt -59.14 -56.91 16.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.613 -1.305 . . . . 0.0 108.028 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.8 -21.16 1.03 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.042 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -102.97 40.63 1.35 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.099 0.952 . . . . 0.0 109.388 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 65' ' ' ASP . 11.8 p-10 -44.54 -35.33 2.48 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-O 121.659 0.742 . . . . 0.0 109.724 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.12 -6.25 0.01 OUTLIER Glycine 0 N--CA 1.495 2.592 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.813 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' A' ' 63' ' ' ASP . 31.4 t70 -106.24 -31.32 8.7 Favored 'General case' 0 N--CA 1.514 2.746 0 CA-C-N 119.188 1.494 . . . . 0.0 112.196 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.2 -26.59 23.75 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 119.816 -1.803 . . . . 0.0 109.308 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.87 130.38 14.85 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.148 -1.207 . . . . 0.0 109.559 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' LEU . 2.7 m -104.09 127.01 51.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.068 -1.02 . . . . 0.0 109.493 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.49 -172.06 3.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 110.282 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -74.94 -25.81 59.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.532 -0.73 . . . . 0.0 109.19 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.42 -36.99 85.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.836 -1.165 . . . . 0.0 108.737 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -70.62 -22.77 62.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.134 -0.979 . . . . 0.0 109.655 179.515 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 77' ' ' VAL . 71.3 t80 -74.73 -41.16 60.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.06 -1.025 . . . . 0.0 109.629 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.4 -52.82 28.73 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.294 -1.504 . . . . 0.0 109.039 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.43 73.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.289 -1.507 . . . . 0.0 111.765 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CG ' HD21 ' A' ' 60' ' ' LEU . 17.2 m-85 -66.03 -34.05 77.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.448 -1.407 . . . . 0.0 109.886 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.7 t -68.29 -33.35 60.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 26.1 p -69.32 -53.39 19.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -0.941 . . . . 0.0 109.523 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.42 -38.39 28.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.034 -1.041 . . . . 0.0 110.129 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.29 -58.3 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.904 -1.122 . . . . 0.0 109.419 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -57.64 -38.97 75.95 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 78' ' ' SER . 6.5 m -74.4 -20.03 60.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.619 -0.676 . . . . 0.0 109.559 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.055 -1.028 . . . . 0.0 108.76 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.61 -33.16 67.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.17 -0.956 . . . . 0.0 109.745 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.474 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.7 tt -63.75 -43.84 95.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 109.421 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.44 -48.25 65.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 108.911 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.03 -42.55 49.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.72 0.771 . . . . 0.0 110.142 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.597 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.87 -29.81 55.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.617 -0.677 . . . . 0.0 111.125 -178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.61 -48.18 80.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.43 -1.419 . . . . 0.0 107.934 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.84 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.289 -0.882 . . . . 0.0 109.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.0 -48.08 81.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.005 -1.059 . . . . 0.0 108.403 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.2 mt -46.03 -41.01 11.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 109.044 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.46 -40.93 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 9' ' ' ALA . 10.1 t70 -49.77 -52.44 31.84 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.663 0.744 . . . . 0.0 109.904 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.7 -34.17 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.658 -0.651 . . . . 0.0 111.323 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.68 -35.56 81.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.254 -1.529 . . . . 0.0 109.302 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.03 -31.26 39.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.903 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -53.86 -45.09 70.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.575 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -72.91 -48.01 40.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.154 -0.966 . . . . 0.0 109.029 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 75.7 m -98.19 60.47 1.42 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.365 -0.834 . . . . 0.0 109.827 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 -11.99 7.11 Favored Glycine 0 N--CA 1.502 3.075 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -63.64 -30.45 71.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -1.005 . . . . 0.0 109.096 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 39.2 mt-10 -147.93 -45.02 0.16 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.543 -1.348 . . . . 0.0 110.077 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.51 14.14 0.19 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 46.2 t0 -47.58 -59.02 3.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -1.167 . . . . 0.0 108.439 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.98 176.5 7.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -125.18 46.15 2.42 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -132.61 149.53 52.29 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.263 0.554 . . . . 0.0 110.014 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' B' ' 68' ' ' CYS . 19.2 tp -126.22 144.57 50.72 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -94.3 157.35 16.08 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.99 -1.069 . . . . 0.0 110.252 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -60.54 -40.08 90.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.4 p -58.57 -40.81 84.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 110.998 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.79 -41.2 38.2 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.852 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.552 ' O ' HD23 ' B' ' 32' ' ' LEU . 2.3 tt -55.17 -44.33 75.11 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' NZ ' ' CE ' ' B' ' 57' ' ' MET . 59.2 tttp -51.11 -55.86 15.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.432 -1.418 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.39 -35.41 12.58 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.897 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.72 -43.85 79.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.631 -1.293 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.66 -35.77 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 120.706 -1.246 . . . . 0.0 109.79 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.09 -35.75 80.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.892 . . . . 0.0 111.764 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -102.55 -19.9 14.68 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.005 -1.06 . . . . 0.0 111.496 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.499 ' O ' HD12 ' B' ' 40' ' ' LEU . 3.5 mp0 -100.99 -26.43 13.73 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.804 -1.185 . . . . 0.0 110.319 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.4 mp -116.08 26.17 10.15 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.276 -0.89 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -67.36 -51.61 50.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.848 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.9 -40.48 66.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.012 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -72.06 -29.69 64.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.037 -1.04 . . . . 0.0 109.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -51.32 -25.85 6.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.61 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.067 -1.021 . . . . 0.0 109.981 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -86.1 60.39 6.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.207 -0.933 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.3 mm -120.39 110.83 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.458 -0.776 . . . . 0.0 109.334 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 12.2 mptt -93.38 -49.63 5.84 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.118 -0.989 . . . . 0.0 109.129 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 51' ' ' GLU . 20.5 mt-10 -82.56 67.94 8.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.555 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -45.94 -21.66 0.15 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.235 -0.916 . . . . 0.0 109.824 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 49' ' ' GLU . 33.9 mt-10 -75.42 -23.27 56.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.25 -49.46 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.684 -1.26 . . . . 0.0 107.809 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.74 -33.75 63.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.042 -1.036 . . . . 0.0 108.642 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.66 -45.86 88.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.552 -0.717 . . . . 0.0 109.742 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.79 -26.5 65.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 109.784 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.01 -56.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.767 -1.208 . . . . 0.0 108.25 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.519 ' CE ' ' NZ ' ' B' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.43 39.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.43 -0.794 . . . . 0.0 110.054 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -85.67 -35.23 21.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.016 -1.053 . . . . 0.0 109.223 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -68.98 -43.82 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.671 -1.268 . . . . 0.0 108.144 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.484 HD21 ' CG ' ' B' ' 76' ' ' PHE . 91.3 mt -59.21 -56.82 17.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.669 -1.269 . . . . 0.0 107.979 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.86 -21.1 1.04 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 109.055 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -102.87 40.61 1.35 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.138 0.971 . . . . 0.0 109.783 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' B' ' 65' ' ' ASP . 11.7 p-10 -44.46 -35.37 2.43 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 121.595 0.712 . . . . 0.0 109.257 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.05 -6.5 0.01 OUTLIER Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.0 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' B' ' 63' ' ' ASP . 31.4 t70 -106.13 -31.26 8.78 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.097 1.448 . . . . 0.0 112.264 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.23 -26.63 23.57 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 119.736 -1.852 . . . . 0.0 109.312 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.81 130.44 14.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.173 -1.192 . . . . 0.0 109.489 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' B' ' 27' ' ' LEU . 2.7 m -104.12 127.07 51.68 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.54 -172.1 3.95 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.138 -0.976 . . . . 0.0 110.273 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.87 -25.83 59.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.467 -0.771 . . . . 0.0 109.222 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.44 -36.96 85.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.81 -1.181 . . . . 0.0 108.699 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 0.5 OUTLIER -70.6 -22.84 62.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.644 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.535 ' O ' HG23 ' B' ' 77' ' ' VAL . 71.4 t80 -74.62 -41.34 60.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.057 -1.027 . . . . 0.0 109.615 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.29 -52.86 28.94 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.289 -1.507 . . . . 0.0 109.029 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.209 -1.557 . . . . 0.0 111.755 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.484 ' CG ' HD21 ' B' ' 60' ' ' LEU . 17.4 m-85 -65.99 -34.06 77.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.434 -1.417 . . . . 0.0 109.907 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.8 t -68.25 -33.32 59.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 108.775 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' B' ' 82' ' ' THR . 26.2 p -69.38 -53.31 20.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 109.59 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.41 -38.39 28.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.992 -1.067 . . . . 0.0 110.179 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.33 -58.31 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.942 -1.099 . . . . 0.0 109.365 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -57.68 -38.91 75.96 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 78' ' ' SER . 6.5 m -74.38 -20.09 60.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.613 -0.679 . . . . 0.0 109.557 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 120.969 -1.082 . . . . 0.0 108.83 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.83 -37.69 74.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 109.774 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -39.97 92.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.086 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' B' ' 42' ' ' HIS . 73.1 tt0 -56.44 -48.39 77.12 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.284 -0.885 . . . . 0.0 109.218 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 41.3 mmtm -47.97 -42.03 26.63 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.83 0.824 . . . . 0.0 109.364 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.12 -32.07 44.4 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.876 -0.515 . . . . 0.0 111.074 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.38 -40.57 86.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.449 -1.407 . . . . 0.0 108.484 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.98 -35.14 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.92 75.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.845 . . . . 0.0 109.674 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.52 -55.85 16.71 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.992 0.901 . . . . 0.0 109.798 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.17 -37.58 50.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.96 -36.4 75.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.809 -1.182 . . . . 0.0 110.477 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.8 t -71.9 -35.64 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.502 -1.374 . . . . 0.0 109.313 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.5 -34.03 76.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 108.19 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.11 -30.12 60.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.26 -43.8 74.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.428 -0.795 . . . . 0.0 110.078 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.93 -46.84 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.46 60.73 1.36 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.297 -0.877 . . . . 0.0 109.974 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.56 -13.54 6.74 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.9 -29.93 71.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.525 -0.985 . . . . 0.0 108.953 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 80.7 mt-10 -148.54 -45.25 0.15 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.667 -1.271 . . . . 0.0 109.967 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.28 12.62 0.19 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 22.1 m-20 -49.13 -53.91 18.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -1.226 . . . . 0.0 108.226 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.47 178.36 5.97 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 26.5 p80 -128.28 47.16 2.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.35 152.2 51.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 109.865 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' CYS . 11.2 tp -126.63 143.42 51.23 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 155.9 16.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.051 -1.031 . . . . 0.0 110.226 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.74 -37.45 81.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.979 179.125 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 t -60.2 -41.84 93.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 110.758 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -79.4 -33.9 42.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.964 -1.085 . . . . 0.0 108.731 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.5 tt -62.94 -45.94 90.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.34 -56.76 12.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.69 -1.256 . . . . 0.0 108.76 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.02 -35.32 10.83 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.546 -0.862 . . . . 0.0 108.758 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -67.5 -41.98 83.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.117 -0.99 . . . . 0.0 108.505 179.055 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.7 -35.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.687 -1.258 . . . . 0.0 109.362 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' C ' HD22 ' A' ' 38' ' ' ASN . 9.2 m120 -65.84 -33.52 76.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 0.0 110.89 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.558 HD22 ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -112.33 -8.39 13.93 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.346 -0.846 . . . . 0.0 110.627 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.8 tp10 -92.38 -31.68 15.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.86 -1.15 . . . . 0.0 110.468 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -126.96 37.33 4.3 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.405 -0.81 . . . . 0.0 109.571 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.66 -28.23 63.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.365 -0.834 . . . . 0.0 110.217 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.49 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.32 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.055 -1.028 . . . . 0.0 109.936 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.81 -20.81 65.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.199 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.93 -45.73 31.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.0 109.522 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.72 -37.21 83.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.95 . . . . 0.0 110.067 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -88.94 62.37 6.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 110.534 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.57 116.49 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.395 -0.815 . . . . 0.0 109.036 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.29 -57.13 2.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.149 -0.97 . . . . 0.0 109.708 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.77 107.63 13.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.29 -21.28 36.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.051 -1.031 . . . . 0.0 110.301 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.99 -23.79 61.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.019 -1.051 . . . . 0.0 110.736 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.43 -48.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.494 -1.379 . . . . 0.0 108.003 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.57 -33.19 60.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 120.931 -1.105 . . . . 0.0 108.774 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.41 -46.72 87.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.922 . . . . 0.0 109.839 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.45 -56.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.601 -1.312 . . . . 0.0 107.657 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.02 -27.47 13.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.294 -0.879 . . . . 0.0 109.359 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.89 -34.52 19.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 108.737 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -67.37 -46.26 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 76' ' ' PHE . 19.9 mt -61.6 -56.72 16.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.638 -1.289 . . . . 0.0 108.371 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.33 -23.63 9.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.577 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.95 40.77 1.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.294 1.045 . . . . 0.0 109.057 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.586 ' C ' ' H ' ' A' ' 65' ' ' ASP . 17.8 p-10 -44.68 -33.84 1.99 Allowed 'General case' 0 C--N 1.274 -2.698 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.64 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.99 -8.6 0.01 OUTLIER Glycine 0 N--CA 1.497 2.735 0 C-N-CA 121.378 -0.439 . . . . 0.0 112.105 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.586 ' H ' ' C ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.37 8.27 Favored 'General case' 0 N--CA 1.512 2.67 0 CA-C-N 119.164 1.482 . . . . 0.0 112.174 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.58 -25.62 25.18 Favored Glycine 0 N--CA 1.502 3.035 0 O-C-N 119.828 -1.795 . . . . 0.0 109.132 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.0 130.71 15.99 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.242 -1.152 . . . . 0.0 109.44 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' LEU . 6.8 m -101.8 125.2 48.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.038 -1.039 . . . . 0.0 109.138 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.17 -175.92 5.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.244 -0.91 . . . . 0.0 109.736 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -75.32 -30.36 60.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 108.863 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -61.99 -37.13 83.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.072 -1.017 . . . . 0.0 108.852 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 33.3 mt-10 -72.68 -24.68 61.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.201 -0.937 . . . . 0.0 109.875 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.7 t80 -74.14 -42.08 60.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.445 -0.784 . . . . 0.0 109.289 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.18 -48.23 79.27 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.289 -1.507 . . . . 0.0 107.769 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.26 -42.79 63.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.319 -1.488 . . . . 0.0 110.719 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 72' ' ' GLU . 43.4 m-85 -69.82 -32.45 70.89 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.389 -1.445 . . . . 0.0 109.52 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.55 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 55.2 t -67.81 -35.4 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.473 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' MET . 14.2 p -70.98 -54.28 11.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.125 -0.984 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.413 ' O ' ' OG1' ' A' ' 82' ' ' THR . 23.8 mtm -53.35 -51.53 62.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.098 -1.002 . . . . 0.0 110.504 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.87 -43.7 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.62 80.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.936 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 79' ' ' MET . 8.6 p -57.06 -51.03 70.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.979 . . . . 0.0 109.583 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 109.503 -179.646 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.499 1.975 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.87 -37.72 74.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.11 -39.92 91.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.26 -0.9 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 42' ' ' HIS . 73.3 tt0 -56.54 -48.31 77.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.364 -0.835 . . . . 0.0 109.256 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -47.98 -42.02 26.72 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.843 0.83 . . . . 0.0 109.371 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.17 -32.04 44.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.855 -0.528 . . . . 0.0 111.077 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.39 -40.56 86.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.407 -1.433 . . . . 0.0 108.475 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.99 -35.12 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.9 . . . . 0.0 109.328 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.0 75.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.298 -0.876 . . . . 0.0 109.689 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.49 -55.92 16.21 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.014 0.911 . . . . 0.0 109.781 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.0 mt -56.05 -37.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.596 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.98 -36.42 75.17 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.784 -1.197 . . . . 0.0 110.47 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.9 t -71.8 -35.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.467 -1.396 . . . . 0.0 109.308 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -62.48 -34.01 76.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.81 -1.181 . . . . 0.0 108.171 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.16 -30.16 60.65 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.488 -0.758 . . . . 0.0 109.489 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.31 -43.75 75.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.469 -0.769 . . . . 0.0 110.039 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.91 -46.87 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.063 -1.023 . . . . 0.0 109.38 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.42 60.66 1.37 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.28 -0.888 . . . . 0.0 110.0 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.53 -13.5 6.78 Favored Glycine 0 N--CA 1.502 3.066 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.93 -29.88 71.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.518 -0.99 . . . . 0.0 109.005 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 80.7 mt-10 -148.55 -45.24 0.15 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.637 -1.29 . . . . 0.0 109.968 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.24 12.64 0.18 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 22.0 m-20 -49.1 -53.9 18.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -1.233 . . . . 0.0 108.268 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.52 178.36 5.96 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' B' ' 25' ' ' HIS . 26.5 p80 -128.27 47.21 2.46 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.34 152.15 51.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.65 -0.656 . . . . 0.0 109.877 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 68' ' ' CYS . 11.2 tp -126.54 143.39 51.22 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -95.67 155.91 16.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.047 -1.033 . . . . 0.0 110.11 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.578 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -60.77 -37.4 81.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 110.004 179.126 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.406 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 40.8 t -60.26 -41.8 94.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -79.42 -33.9 42.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.143 . . . . 0.0 108.703 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.546 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.5 tt -62.99 -45.98 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.16 -56.83 12.04 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.678 -1.264 . . . . 0.0 108.784 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.0 -35.35 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.747 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -67.43 -41.99 83.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 108.56 179.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.75 -35.51 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.763 -1.21 . . . . 0.0 109.273 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.499 ' C ' HD22 ' B' ' 38' ' ' ASN . 9.2 m120 -65.76 -33.58 76.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 110.954 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.554 HD22 ' N ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -112.35 -8.3 13.93 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.326 -0.859 . . . . 0.0 110.612 -178.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.8 tp10 -92.41 -31.65 15.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.854 -1.154 . . . . 0.0 110.464 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 mt -126.93 37.35 4.3 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.432 -0.793 . . . . 0.0 109.562 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.68 -28.19 63.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.4 15.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.066 -1.021 . . . . 0.0 109.892 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.79 -20.81 65.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.187 -0.946 . . . . 0.0 109.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.509 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -47.87 -45.78 30.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.463 -0.773 . . . . 0.0 109.509 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.68 -37.29 83.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.045 -1.034 . . . . 0.0 110.03 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -88.87 62.32 6.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.235 -0.916 . . . . 0.0 110.559 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.53 116.45 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.393 -0.817 . . . . 0.0 109.058 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.26 -57.11 2.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.17 -0.956 . . . . 0.0 109.74 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.83 107.67 13.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.31 -21.27 36.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.023 -1.048 . . . . 0.0 110.311 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.99 -23.8 61.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.058 -1.026 . . . . 0.0 110.784 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 77.4 t -75.4 -48.77 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.48 -1.388 . . . . 0.0 107.989 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.63 -33.19 60.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.845 -1.16 . . . . 0.0 108.722 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.43 -46.76 87.83 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.345 -0.847 . . . . 0.0 109.606 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.825 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.42 -56.28 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.612 -1.305 . . . . 0.0 107.689 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.08 -27.5 14.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.271 -0.893 . . . . 0.0 109.354 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.82 -34.58 19.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.002 -1.061 . . . . 0.0 108.776 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -67.42 -46.21 73.84 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.4 HD21 ' CD2' ' B' ' 76' ' ' PHE . 20.0 mt -61.6 -56.67 17.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.666 -1.271 . . . . 0.0 108.423 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.31 -23.66 9.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.261 -0.9 . . . . 0.0 109.563 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.99 40.93 1.19 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.364 1.078 . . . . 0.0 109.408 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' B' ' 65' ' ' ASP . 17.8 p-10 -44.58 -33.98 1.97 Allowed 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.265 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.9 -8.64 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.206 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.41 8.25 Favored 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 119.084 1.442 . . . . 0.0 112.123 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.73 -25.65 24.93 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 119.896 -1.752 . . . . 0.0 109.101 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -147.97 130.68 15.99 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.161 -1.2 . . . . 0.0 109.423 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' B' ' 27' ' ' LEU . 6.8 m -101.75 125.17 48.36 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.01 -1.056 . . . . 0.0 109.185 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -82.12 -175.93 5.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 109.803 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -75.37 -30.25 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 108.876 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.13 -37.03 83.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.098 -1.001 . . . . 0.0 108.846 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.518 ' O ' ' CD2' ' B' ' 76' ' ' PHE . 33.3 mt-10 -72.65 -24.77 61.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.6 t80 -74.13 -42.0 60.68 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.458 -0.776 . . . . 0.0 109.345 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.21 -48.26 79.07 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.301 -1.499 . . . . 0.0 107.75 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.25 -42.75 63.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.329 -1.482 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' B' ' 72' ' ' GLU . 43.5 m-85 -69.79 -32.58 71.14 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.408 -1.432 . . . . 0.0 109.478 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 55.3 t -67.78 -35.4 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.474 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' B' ' 79' ' ' MET . 14.3 p -70.96 -54.28 11.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.122 -0.986 . . . . 0.0 110.075 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.423 ' O ' ' OG1' ' B' ' 82' ' ' THR . 23.9 mtm -53.35 -51.59 61.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.13 -0.981 . . . . 0.0 110.473 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.81 -43.66 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.0 110.09 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.66 80.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.065 -1.022 . . . . 0.0 109.914 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 79' ' ' MET . 8.7 p -57.04 -51.01 70.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 109.52 -179.679 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.413 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 6.5 p . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.83 -32.36 63.52 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.247 -0.908 . . . . 0.0 109.211 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.9 tt -58.24 -53.12 61.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.199 -0.938 . . . . 0.0 109.537 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.5 mp0 -51.34 -47.19 62.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 109.427 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -51.04 -44.56 61.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.819 0.819 . . . . 0.0 109.464 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.797 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.72 -28.62 58.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.79 -0.569 . . . . 0.0 111.051 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.2 tpt -66.18 -50.86 62.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.385 -1.447 . . . . 0.0 108.612 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.51 -35.92 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.33 -0.856 . . . . 0.0 109.194 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.97 -47.63 82.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -45.9 -43.08 13.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.211 -0.931 . . . . 0.0 109.441 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.667 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.8 mp -65.05 -39.9 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.6 t70 -51.12 -53.44 34.29 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.664 0.745 . . . . 0.0 109.957 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.6 t -76.88 -44.74 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.564 -0.71 . . . . 0.0 111.289 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.83 -35.3 70.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.29 -1.507 . . . . 0.0 108.871 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -78.53 -30.5 47.05 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 109.732 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.73 -43.78 69.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.329 -0.857 . . . . 0.0 109.528 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.37 49.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.11 -0.994 . . . . 0.0 109.058 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -96.81 61.06 1.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.277 -0.889 . . . . 0.0 110.273 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.77 -15.03 7.01 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.99 -31.09 70.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.534 -0.98 . . . . 0.0 109.311 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' ASP . 37.1 mt-10 -148.8 -44.41 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.624 -1.298 . . . . 0.0 110.34 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.41 12.34 0.18 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.6 t0 -48.96 -55.53 11.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -1.186 . . . . 0.0 108.342 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -178.16 5.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -130.86 47.3 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -133.66 150.11 51.55 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.0 tp -123.65 141.34 52.11 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.7 148.89 23.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.848 -1.158 . . . . 0.0 109.555 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.3 pttm -56.94 -41.44 78.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 5.0 m -57.87 -40.2 79.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -0.806 . . . . 0.0 111.069 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.19 -33.9 43.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.005 -1.06 . . . . 0.0 109.068 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.12 -44.16 97.26 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.47 -57.21 10.62 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.599 -1.313 . . . . 0.0 108.785 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.27 -35.34 11.91 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.376 -0.929 . . . . 0.0 108.948 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -66.42 -49.56 66.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.028 -1.045 . . . . 0.0 108.737 179.083 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.6 mt -52.45 -38.73 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.698 -1.252 . . . . 0.0 109.694 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.28 -27.89 69.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.164 -0.96 . . . . 0.0 110.655 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.14 2.91 11.45 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.458 -0.776 . . . . 0.0 110.512 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 35' ' ' LEU . 30.4 tt0 -104.95 -31.69 9.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.127 -0.983 . . . . 0.0 110.659 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -125.41 38.85 4.09 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.445 -0.785 . . . . 0.0 109.662 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 p -68.45 -29.17 67.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -75.08 -51.87 12.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.943 -1.098 . . . . 0.0 109.94 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.21 -20.06 65.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.057 -1.027 . . . . 0.0 109.22 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.32 -50.67 38.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.356 -0.84 . . . . 0.0 109.717 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.97 -29.62 60.52 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.304 -0.872 . . . . 0.0 109.816 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -92.14 61.04 3.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.283 -0.885 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.5 mt -124.64 104.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.343 -0.848 . . . . 0.0 108.79 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.4 -46.58 7.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.101 -0.999 . . . . 0.0 109.423 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -83.75 66.54 9.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.0 109.382 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.02 -23.7 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.309 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 10.9 mp0 -74.23 -25.21 59.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.218 -0.926 . . . . 0.0 110.312 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.0 t -73.8 -49.72 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.11 -31.86 54.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 108.65 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -61.95 -49.49 75.93 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.365 -0.834 . . . . 0.0 109.813 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.39 -26.78 68.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -0.93 . . . . 0.0 109.835 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.16 -55.15 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 120.682 -1.261 . . . . 0.0 108.001 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.72 -26.08 43.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.401 -0.812 . . . . 0.0 110.361 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.11 -39.95 14.16 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.006 -1.059 . . . . 0.0 109.786 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.93 -36.28 77.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.704 -1.247 . . . . 0.0 107.841 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.8 tp -69.11 -58.53 3.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.863 -1.148 . . . . 0.0 108.024 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 52.8 t0 -50.15 -20.12 0.93 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.203 -0.936 . . . . 0.0 109.197 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 69.7 mm-40 -100.02 41.74 1.15 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.323 1.059 . . . . 0.0 108.964 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 65' ' ' ASP . 14.9 p-10 -43.51 -34.62 1.41 Allowed 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.624 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.31 -7.08 0.01 OUTLIER Glycine 0 N--CA 1.496 2.676 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' A' ' 63' ' ' ASP . 35.0 t70 -106.12 -31.4 8.72 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 119.133 1.466 . . . . 0.0 111.952 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 -25.09 25.42 Favored Glycine 0 N--CA 1.504 3.169 0 CA-C-N 121.02 1.737 . . . . 0.0 109.152 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -150.93 131.89 14.24 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.237 -1.155 . . . . 0.0 109.684 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.81 124.09 45.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.121 -0.987 . . . . 0.0 108.548 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -83.1 -172.88 4.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.185 -0.947 . . . . 0.0 109.743 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -74.87 -34.1 62.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 108.822 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.38 -38.62 80.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.991 -1.068 . . . . 0.0 108.731 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -72.6 -23.72 60.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 77' ' ' VAL . 40.4 t80 -74.36 -42.2 59.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.433 -0.792 . . . . 0.0 109.236 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.06 -52.0 58.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.189 -1.569 . . . . 0.0 108.409 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.84 -50.37 66.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.298 -1.502 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.51 -36.82 85.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.753 -1.217 . . . . 0.0 109.529 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.5 t -65.01 -32.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.231 -0.918 . . . . 0.0 109.187 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.1 -51.79 28.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.211 -0.931 . . . . 0.0 110.082 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.1 tpp -50.57 -37.5 40.15 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.147 -0.97 . . . . 0.0 110.768 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.61 -48.79 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.809 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.8 m -61.96 -48.37 80.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.59 -22.64 56.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.349 -0.845 . . . . 0.0 109.663 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.973 . . . . 0.0 109.379 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.402 ' OG ' ' OE1' ' B' ' 4' ' ' GLU . 6.5 p . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.82 -32.35 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -0.936 . . . . 0.0 109.165 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.527 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.9 tt -58.23 -53.19 61.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' B' ' 4' ' ' GLU . 2.5 mp0 -51.25 -47.26 62.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.08 . . . . 0.0 109.428 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' B' ' 5' ' ' LYS . 31.7 mmtp -51.04 -44.55 61.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.791 0.805 . . . . 0.0 109.462 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.797 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.78 -28.53 58.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.822 -0.549 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -66.21 -50.88 62.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.443 -1.41 . . . . 0.0 108.628 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.42 -35.97 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.365 -0.834 . . . . 0.0 109.269 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -57.99 -47.58 82.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.125 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' B' ' 9' ' ' ALA . 83.1 mt -45.97 -42.99 13.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.485 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.662 HD12 ' N ' ' B' ' 11' ' ' ILE . 1.8 mp -65.1 -39.9 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.06 -53.47 33.46 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.639 0.733 . . . . 0.0 110.011 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.87 -44.78 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.637 -0.664 . . . . 0.0 111.214 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.82 -35.35 70.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.244 -1.535 . . . . 0.0 108.861 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -78.54 -30.41 46.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.373 -0.83 . . . . 0.0 109.779 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.8 -43.73 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.409 -0.807 . . . . 0.0 109.53 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.4 49.63 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.073 -1.017 . . . . 0.0 109.06 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' B' ' 18' ' ' SER . 6.3 t -96.76 60.94 1.83 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.29 -0.881 . . . . 0.0 110.233 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.68 -15.11 7.03 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 107.734 -2.146 . . . . 0.0 107.734 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -60.86 -31.14 70.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.517 -0.99 . . . . 0.0 109.306 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 37.1 mt-10 -148.84 -44.35 0.15 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.639 -1.288 . . . . 0.0 110.413 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.4 12.31 0.18 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 52.6 t0 -49.0 -55.47 11.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.167 -1.196 . . . . 0.0 108.304 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -178.13 5.11 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -130.91 47.2 2.56 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -133.58 150.16 51.63 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 tp -123.62 141.39 52.06 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.77 148.9 22.96 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.843 -1.161 . . . . 0.0 109.551 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.3 pttm -56.95 -41.43 78.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.118 -0.989 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 5.0 m -57.9 -40.17 79.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 111.024 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.22 -33.86 43.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.012 -1.055 . . . . 0.0 109.076 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -62.17 -44.17 97.21 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.48 -57.18 10.71 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.59 -1.318 . . . . 0.0 108.774 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.29 -35.35 12.03 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.958 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -66.36 -49.63 66.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.058 -1.026 . . . . 0.0 108.761 179.028 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -52.39 -38.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.671 -1.268 . . . . 0.0 109.699 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.36 -27.86 69.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.181 -0.949 . . . . 0.0 110.675 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.1 2.81 11.46 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 35' ' ' LEU . 30.4 tt0 -104.89 -31.7 9.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.145 -0.972 . . . . 0.0 110.716 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.42 38.94 4.07 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.6 p -68.51 -29.2 67.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.079 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -75.03 -51.88 12.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.91 -1.118 . . . . 0.0 109.958 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -63.17 -20.07 65.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.084 -1.01 . . . . 0.0 109.234 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.34 -50.61 39.03 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.371 -0.831 . . . . 0.0 109.719 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.01 -29.62 60.64 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.326 -0.859 . . . . 0.0 109.81 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -92.13 61.05 3.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.241 -0.912 . . . . 0.0 110.892 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.8 mt -124.65 104.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.315 -0.865 . . . . 0.0 108.857 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.37 -46.55 7.62 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.103 -0.998 . . . . 0.0 109.422 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.7 66.47 9.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.1 -23.65 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.945 . . . . 0.0 110.25 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 10.9 mp0 -74.24 -25.23 59.52 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.252 -0.905 . . . . 0.0 110.288 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -73.8 -49.74 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.07 -31.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 108.656 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.03 -49.39 76.21 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.488 -0.757 . . . . 0.0 109.815 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.38 -26.81 68.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 109.845 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.17 -55.13 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.651 -1.281 . . . . 0.0 107.968 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.76 -26.08 44.04 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.804 . . . . 0.0 110.328 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.14 -39.91 14.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.015 -1.053 . . . . 0.0 109.821 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -36.28 77.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.768 -1.207 . . . . 0.0 107.898 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -69.1 -58.49 4.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.904 -1.123 . . . . 0.0 108.039 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 61' ' ' ASP . 52.9 t0 -50.12 -20.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.974 . . . . 0.0 109.163 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -100.07 41.77 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 122.356 1.074 . . . . 0.0 109.226 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.589 ' C ' ' H ' ' B' ' 65' ' ' ASP . 14.9 p-10 -43.41 -34.72 1.35 Allowed 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.207 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -7.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.091 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' B' ' 63' ' ' ASP . 34.9 t70 -106.17 -31.19 8.79 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.79 -1.417 . . . . 0.0 112.03 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.7 -25.22 24.95 Favored Glycine 0 N--CA 1.5 2.956 0 O-C-N 119.902 -1.749 . . . . 0.0 109.135 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -150.86 131.96 14.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -1.172 . . . . 0.0 109.631 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.86 124.05 45.96 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.103 -0.998 . . . . 0.0 108.565 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.05 -172.79 4.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.221 -0.924 . . . . 0.0 109.794 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -75.01 -34.03 61.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 108.774 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.42 -38.63 81.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.974 -1.079 . . . . 0.0 108.675 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.65 -23.64 60.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 109.618 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.562 ' O ' HG23 ' B' ' 77' ' ' VAL . 40.5 t80 -74.35 -42.16 59.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.315 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.08 -51.96 58.39 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.211 -1.555 . . . . 0.0 108.448 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.37 66.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.319 -1.488 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.58 -36.74 84.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.7 -1.25 . . . . 0.0 109.489 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.6 t -65.02 -32.91 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.199 -0.938 . . . . 0.0 109.188 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.11 -51.79 28.77 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.0 tpp -50.5 -37.61 39.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.21 -0.931 . . . . 0.0 110.755 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.56 -48.72 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.876 -1.14 . . . . 0.0 109.858 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -61.95 -48.4 80.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.204 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.58 -22.58 56.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.395 179.875 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.47 -33.34 59.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.181 -0.949 . . . . 0.0 109.112 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.5 tt -62.22 -50.6 71.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.767 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.22 -48.7 70.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 109.549 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.47 -41.03 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.748 0.785 . . . . 0.0 109.758 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.14 -29.42 48.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.798 -0.564 . . . . 0.0 111.237 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -48.44 79.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.398 -1.439 . . . . 0.0 107.987 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.03 -36.7 77.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 109.117 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.28 79.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.141 -0.974 . . . . 0.0 108.572 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.51 -41.13 13.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.987 . . . . 0.0 109.328 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.93 -41.79 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.4 m-20 -52.76 -51.09 62.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.6 -0.688 . . . . 0.0 110.368 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.82 -44.98 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.434 -0.791 . . . . 0.0 111.016 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -54.99 -34.24 63.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.384 -1.448 . . . . 0.0 108.731 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 13.5 t-160 -78.87 -31.17 45.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.558 -0.714 . . . . 0.0 109.977 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -55.55 -45.37 77.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.28 -0.887 . . . . 0.0 110.206 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -71.85 -44.47 63.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.949 -1.095 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -99.68 58.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 110.084 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.42 -9.8 12.5 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -65.73 -37.66 87.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 35.0 mm-40 -143.18 -44.4 0.29 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.84 -1.163 . . . . 0.0 109.628 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.78 12.98 0.15 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 28.8 t70 -48.94 -56.31 9.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.248 . . . . 0.0 108.515 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -90.45 157.65 17.47 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -107.44 45.86 0.97 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.96 51.88 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -125.72 142.38 51.54 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -92.71 156.67 16.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.011 -1.055 . . . . 0.0 109.654 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.64 -40.07 93.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 0.0 110.589 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.27 -41.0 87.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.169 -0.957 . . . . 0.0 111.147 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -77.39 -33.5 55.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.034 . . . . 0.0 109.037 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.11 -43.51 98.25 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.26 -56.82 14.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.497 -1.377 . . . . 0.0 109.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -49.06 -36.82 19.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.168 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 8.9 tp -67.91 -45.25 74.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 109.307 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.14 -34.01 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.88 -1.138 . . . . 0.0 109.618 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.67 -30.21 67.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.944 . . . . 0.0 111.874 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -107.56 -0.27 22.18 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.001 -1.062 . . . . 0.0 111.404 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 3.7 mp0 -118.12 -21.99 7.98 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.1 -1.0 . . . . 0.0 110.163 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -120.26 24.49 10.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.339 -0.851 . . . . 0.0 109.412 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.78 -22.83 61.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 109.782 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -70.41 -49.71 46.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 109.725 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.6 -19.05 60.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 109.468 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -49.58 -32.1 11.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.209 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -82.92 -30.67 28.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 110.376 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.16 70.84 7.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.123 -0.986 . . . . 0.0 110.987 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.0 mt -126.82 110.24 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.15 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.82 106.94 18.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.0 pt20 -81.1 -19.07 44.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 111.201 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.72 -23.49 62.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.897 -1.127 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.8 -45.67 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.406 -1.434 . . . . 0.0 108.566 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.26 -34.89 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.69 -1.256 . . . . 0.0 108.964 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 50' ' ' GLN . 61.0 m-20 -57.84 -40.11 79.3 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.279 -0.888 . . . . 0.0 109.951 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -70.84 -27.58 63.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.954 -1.091 . . . . 0.0 109.981 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.56 -55.58 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.616 -1.302 . . . . 0.0 108.0 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.44 -28.91 21.91 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.643 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -88.3 -37.56 15.89 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.0 -1.062 . . . . 0.0 109.236 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -69.17 -39.24 78.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.5 tp -69.73 -57.5 5.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.866 -1.146 . . . . 0.0 108.177 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.88 -18.01 0.24 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.081 -1.012 . . . . 0.0 109.352 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 60' ' ' LEU . 92.4 mt-10 -102.37 42.39 1.15 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.209 1.004 . . . . 0.0 109.364 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.7 t0 -44.09 -38.95 3.91 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.94 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.42 -5.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.599 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.759 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -108.84 -8.76 15.25 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-N 119.181 1.49 . . . . 0.0 112.427 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.35 2.33 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 119.595 -1.941 . . . . 0.0 110.562 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -146.52 130.82 17.54 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.033 -1.275 . . . . 0.0 109.839 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.62 125.45 49.36 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.186 -0.946 . . . . 0.0 108.834 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -84.38 -173.5 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.192 -0.942 . . . . 0.0 110.315 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.72 -28.21 60.7 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.05 -39.13 89.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.898 -1.126 . . . . 0.0 108.671 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.67 -23.14 62.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.0 109.387 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.2 t80 -76.02 -41.7 50.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.5 -0.75 . . . . 0.0 109.346 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.04 -55.8 14.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.083 -1.636 . . . . 0.0 108.496 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.9 -42.83 59.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.344 -1.473 . . . . 0.0 110.728 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.85 -37.89 70.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.742 -1.224 . . . . 0.0 109.994 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 73' ' ' PHE . 25.2 t -60.18 -33.72 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.055 -1.028 . . . . 0.0 108.776 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -70.69 -51.17 29.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 59.6 mtp -49.39 -39.4 32.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.102 -0.998 . . . . 0.0 110.522 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.8 t -73.93 -45.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -71.36 -45.68 62.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 109.385 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -71.26 -21.29 62.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.762 . . . . 0.0 110.368 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.002 -1.061 . . . . 0.0 108.746 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.49 -33.31 59.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.954 . . . . 0.0 109.087 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.464 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.5 tt -62.19 -50.6 71.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.442 -0.786 . . . . 0.0 109.772 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -54.31 -48.6 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 109.503 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.52 -41.05 28.96 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.752 0.787 . . . . 0.0 109.778 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.06 -29.49 49.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.764 -0.585 . . . . 0.0 111.287 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -48.44 79.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.376 -1.453 . . . . 0.0 108.026 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.421 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.8 t -67.05 -36.64 77.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.181 -0.949 . . . . 0.0 109.161 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.186 -0.946 . . . . 0.0 108.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.59 -41.07 13.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 109.333 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.02 -41.74 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 12' ' ' ASP . 2.4 m-20 -52.69 -51.15 61.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.585 -0.697 . . . . 0.0 110.359 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.79 -44.98 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.36 -0.837 . . . . 0.0 110.992 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.99 -34.3 63.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.354 -1.466 . . . . 0.0 108.714 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 13.5 t-160 -78.79 -31.24 45.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -55.52 -45.31 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 110.224 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -71.86 -44.58 63.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.939 -1.101 . . . . 0.0 109.253 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -99.6 58.73 1.07 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.36 -0.838 . . . . 0.0 110.111 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.38 -9.84 12.5 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 107.574 -2.21 . . . . 0.0 107.574 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -65.71 -37.68 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.71 -0.877 . . . . 0.0 109.188 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 23' ' ' ASP . 35.1 mm-40 -143.11 -44.42 0.29 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.764 -1.21 . . . . 0.0 109.653 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.75 12.97 0.15 Allowed Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' B' ' 21' ' ' GLU . 28.8 t70 -48.95 -56.3 9.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.104 -1.233 . . . . 0.0 108.502 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.4 157.6 17.52 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.4 45.82 0.97 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.97 51.88 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -125.69 142.34 51.56 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -92.69 156.7 16.89 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.031 -1.043 . . . . 0.0 109.648 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.66 -40.08 93.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.166 -0.959 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.32 -40.94 87.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.257 -0.902 . . . . 0.0 111.136 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -77.3 -33.56 55.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.038 . . . . 0.0 109.069 -179.116 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.14 -43.48 98.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.23 -56.85 14.3 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.471 -1.393 . . . . 0.0 109.029 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -49.13 -36.8 20.05 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.14 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 8.9 tp -67.91 -45.21 75.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.073 -1.017 . . . . 0.0 109.298 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.16 -34.04 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.87 -1.144 . . . . 0.0 109.614 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.66 -30.21 67.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.166 -0.959 . . . . 0.0 111.874 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -107.52 -0.33 22.2 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.046 -1.034 . . . . 0.0 111.412 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 3.7 mp0 -118.13 -22.01 7.97 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.027 -1.046 . . . . 0.0 110.15 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.23 24.45 10.41 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.326 -0.859 . . . . 0.0 109.466 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -22.99 61.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.754 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -70.34 -49.59 47.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 109.773 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.7 -19.06 60.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.414 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 tp -49.55 -32.14 11.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 0.0 110.242 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -82.85 -30.75 28.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.12 -0.987 . . . . 0.0 110.362 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.14 70.8 7.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.055 -1.028 . . . . 0.0 111.035 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.9 mt -126.78 110.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.377 -0.827 . . . . 0.0 109.347 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.14 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.053 . . . . 0.0 108.227 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.79 106.87 17.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.405 ' O ' ' OD2' ' B' ' 54' ' ' ASP . 10.0 pt20 -81.1 -18.98 44.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.986 -1.071 . . . . 0.0 111.236 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.76 -23.43 62.42 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.849 -1.157 . . . . 0.0 111.336 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.84 -45.62 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.401 -1.437 . . . . 0.0 108.596 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.31 -34.82 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.674 -1.266 . . . . 0.0 108.983 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' B' ' 50' ' ' GLN . 60.9 m-20 -57.86 -40.13 79.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -70.82 -27.6 63.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.938 -1.101 . . . . 0.0 109.938 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.57 -55.63 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.355 . . . . 0.0 107.989 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.35 -28.96 21.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.359 -0.838 . . . . 0.0 109.67 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -88.33 -37.6 15.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.979 -1.076 . . . . 0.0 109.183 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -69.17 -39.23 78.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.4 tp -69.74 -57.49 5.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.947 -1.095 . . . . 0.0 108.178 177.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.83 -18.02 0.24 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.083 -1.01 . . . . 0.0 109.332 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' B' ' 60' ' ' LEU . 92.4 mt-10 -102.42 42.54 1.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.26 1.029 . . . . 0.0 109.629 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' B' ' 65' ' ' ASP . 31.1 t0 -44.01 -39.1 3.89 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.518 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.28 -5.83 0.01 OUTLIER Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.949 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.9 OUTLIER -108.84 -8.64 15.27 Favored 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.078 1.439 . . . . 0.0 112.47 -179.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.38 2.33 Favored Glycine 0 N--CA 1.492 2.368 0 O-C-N 119.561 -1.962 . . . . 0.0 110.499 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -146.52 130.79 17.51 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.989 -1.3 . . . . 0.0 109.789 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.69 125.48 49.44 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.19 -0.943 . . . . 0.0 108.838 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.38 -173.51 4.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -0.931 . . . . 0.0 110.258 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.76 -28.23 60.67 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -66.03 -39.13 89.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.849 -1.157 . . . . 0.0 108.694 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -23.16 62.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.546 ' O ' HG23 ' B' ' 77' ' ' VAL . 32.0 t80 -76.07 -41.64 49.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.775 . . . . 0.0 109.327 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mmt -65.98 -55.89 14.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.072 -1.642 . . . . 0.0 108.539 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.75 59.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.313 -1.492 . . . . 0.0 110.752 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.86 -37.87 70.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.779 -1.2 . . . . 0.0 110.009 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 73' ' ' PHE . 25.2 t -60.22 -33.67 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.086 -1.009 . . . . 0.0 108.812 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -70.71 -51.21 28.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 0.0 110.091 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 59.6 mtp -49.33 -39.4 31.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 110.55 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.9 t -73.97 -45.12 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.076 -1.015 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -71.37 -45.79 62.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.347 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 p -71.14 -21.31 62.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.49 -0.757 . . . . 0.0 110.396 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 120.951 -1.093 . . . . 0.0 108.765 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.45 -34.76 71.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -0.934 . . . . 0.0 109.617 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 3' ' ' LEU . 2.6 tt -61.68 -52.78 62.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 109.811 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.83 -47.59 64.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.098 . . . . 0.0 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.64 -41.96 32.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.664 0.745 . . . . 0.0 109.897 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.808 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.98 -29.46 43.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.702 -0.624 . . . . 0.0 111.097 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.14 -48.59 79.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.353 -1.467 . . . . 0.0 108.214 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.07 -36.26 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.527 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.26 76.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 108.702 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.74 -45.11 19.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.243 -0.911 . . . . 0.0 108.984 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.64 -42.53 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.36 -51.91 31.65 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.588 0.709 . . . . 0.0 109.994 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.61 -45.26 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.577 -0.702 . . . . 0.0 111.253 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.15 -32.61 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.306 -1.496 . . . . 0.0 108.799 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 15' ' ' HIS . 16.1 t-80 -79.8 -31.34 40.71 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.566 -0.709 . . . . 0.0 109.92 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 19.6 tm0? -54.7 -45.0 73.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.842 . . . . 0.0 109.86 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 15.1 m-85 -71.93 -48.21 47.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.002 -1.061 . . . . 0.0 108.922 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.6 p -98.61 59.98 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.415 -0.803 . . . . 0.0 109.948 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.14 -13.27 7.13 Favored Glycine 0 N--CA 1.501 2.973 0 N-CA-C 107.692 -2.163 . . . . 0.0 107.692 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.32 -30.18 71.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.488 -1.007 . . . . 0.0 109.035 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' ASP . 43.4 mt-10 -147.48 -45.18 0.17 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.693 -1.255 . . . . 0.0 110.037 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.28 13.34 0.12 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.5 t70 -49.08 -57.22 6.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -1.231 . . . . 0.0 108.607 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -89.95 161.17 16.03 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.19 45.86 1.23 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -133.04 149.04 52.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.771 -0.581 . . . . 0.0 109.615 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.2 142.74 50.98 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -92.68 156.66 16.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 109.63 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -61.08 -39.98 91.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 110.435 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -57.8 -40.41 79.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.292 -0.88 . . . . 0.0 111.019 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.94 -33.47 39.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.956 -1.09 . . . . 0.0 108.658 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.6 tt -60.94 -45.0 96.44 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -52.11 -56.72 12.67 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.265 -1.522 . . . . 0.0 109.034 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.04 -35.67 11.56 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.785 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.54 -39.57 88.63 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.702 -1.249 . . . . 0.0 109.292 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -61.16 -35.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.716 -1.24 . . . . 0.0 109.611 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -66.28 -32.78 74.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 111.68 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -108.88 -18.26 13.73 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.101 -1.0 . . . . 0.0 111.334 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 40' ' ' LEU . 80.1 mm-40 -96.36 -28.12 14.62 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.829 -1.169 . . . . 0.0 110.752 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.4 mp -115.3 29.74 7.82 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.407 -0.808 . . . . 0.0 108.979 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.73 -25.15 61.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 110.205 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.69 -41.11 65.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.114 . . . . 0.0 109.568 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -72.76 -18.52 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.0 109.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.6 tp -46.35 -34.91 4.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.306 -0.871 . . . . 0.0 110.191 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.76 -29.95 29.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.146 -0.971 . . . . 0.0 110.455 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.18 60.37 3.71 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -0.945 . . . . 0.0 111.136 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.56 116.64 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 121.243 -0.911 . . . . 0.0 109.075 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.78 -46.92 5.49 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.224 -0.922 . . . . 0.0 109.322 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.14 64.86 7.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 0.0 109.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.28 -24.76 0.31 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.258 -0.901 . . . . 0.0 110.236 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.17 -22.78 57.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.107 -0.995 . . . . 0.0 110.431 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.53 -48.79 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.66 -1.275 . . . . 0.0 108.093 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.16 -32.09 56.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.85 -1.156 . . . . 0.0 108.723 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.03 -45.01 94.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -0.846 . . . . 0.0 110.065 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.27 -26.41 66.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 0.0 109.964 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.33 -56.42 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 108.6 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.41 24.78 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.319 -0.863 . . . . 0.0 109.919 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.97 -34.68 20.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.921 -1.112 . . . . 0.0 109.568 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.17 -41.88 76.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.675 -1.265 . . . . 0.0 108.201 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.03 -56.95 12.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.681 -1.262 . . . . 0.0 108.362 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -50.49 -21.67 1.6 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.097 -1.002 . . . . 0.0 108.99 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -104.07 41.4 1.3 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.155 0.979 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.9 t0 -44.03 -38.7 3.69 Favored 'General case' 0 C--N 1.274 -2.691 0 CA-C-O 121.596 0.712 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.91 -8.88 0.01 OUTLIER Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.39 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.8 m-20 -107.57 -8.67 16.11 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 118.974 1.387 . . . . 0.0 112.272 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.82 -30.07 2.33 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 119.717 -1.864 . . . . 0.0 110.611 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -147.32 131.6 17.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.952 -1.323 . . . . 0.0 109.88 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.3 m -104.01 126.51 51.18 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.207 -0.933 . . . . 0.0 108.866 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 21.4 t70 -82.49 -173.95 4.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.22 -0.925 . . . . 0.0 110.6 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.468 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.1 t80 -74.66 -27.75 60.56 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.2 -34.63 78.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 109.11 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.93 -23.2 60.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.03 -1.043 . . . . 0.0 110.086 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 77' ' ' VAL . 72.6 t80 -73.34 -39.83 64.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.966 -1.084 . . . . 0.0 109.709 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.7 mmm -69.33 -53.79 17.83 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.127 -1.608 . . . . 0.0 109.519 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -52.59 62.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.229 -1.544 . . . . 0.0 111.168 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.75 -34.27 76.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.672 -1.267 . . . . 0.0 109.363 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 73' ' ' PHE . 14.3 t -66.33 -33.07 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.892 . . . . 0.0 109.093 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.84 -50.56 41.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.063 -1.023 . . . . 0.0 110.033 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.2 mtp -50.68 -38.26 45.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.134 -0.979 . . . . 0.0 110.703 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.7 -47.61 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.979 -1.076 . . . . 0.0 109.876 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 p -67.81 -39.66 83.92 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.143 -0.973 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -71.09 -22.4 62.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.62 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.138 -0.976 . . . . 0.0 108.833 179.567 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.51 -34.68 71.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 3' ' ' LEU . 2.6 tt -61.62 -52.82 62.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.817 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.92 -47.49 64.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 0.0 109.43 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.62 -42.02 32.88 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.714 0.769 . . . . 0.0 109.915 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.808 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.89 -29.48 44.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.645 -0.659 . . . . 0.0 111.079 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.18 -48.53 79.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.378 -1.451 . . . . 0.0 108.233 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.25 76.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.012 -1.055 . . . . 0.0 108.709 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.71 -45.21 19.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 108.931 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.56 -42.59 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.29 -51.91 30.88 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.565 0.697 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.64 -45.26 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.643 -0.661 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.13 -32.62 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.334 -1.479 . . . . 0.0 108.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.424 ' O ' ' ND1' ' B' ' 15' ' ' HIS . 16.1 t-80 -79.86 -31.33 40.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.579 -0.7 . . . . 0.0 109.933 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 19.6 tm0? -54.66 -44.98 73.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.273 -0.892 . . . . 0.0 109.86 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 15.1 m-85 -71.96 -48.21 46.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.04 . . . . 0.0 108.915 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 70.5 p -98.55 59.95 1.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.12 -13.42 7.07 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.28 -30.12 71.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.501 -1.0 . . . . 0.0 109.075 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 43.5 mt-10 -147.5 -45.26 0.17 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.593 -1.317 . . . . 0.0 110.032 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.25 13.37 0.12 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 12.5 t70 -49.13 -57.18 7.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.249 . . . . 0.0 108.576 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -89.97 161.17 16.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.14 45.83 1.23 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -133.02 149.08 52.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.803 -0.561 . . . . 0.0 109.62 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 68' ' ' CYS . 10.8 tp -124.23 142.72 51.01 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -92.68 156.57 16.98 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.008 -1.057 . . . . 0.0 109.673 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -61.05 -39.96 91.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 110.436 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -57.83 -40.41 79.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.889 . . . . 0.0 111.017 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -79.95 -33.39 39.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.704 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.6 tt -60.98 -45.0 96.54 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HZ3' ' HA ' ' B' ' 61' ' ' ASP . 56.9 mttp -52.17 -56.71 12.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.349 -1.47 . . . . 0.0 109.035 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.1 -35.66 11.78 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.746 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.5 -39.57 88.76 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.754 -1.216 . . . . 0.0 109.323 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.22 -35.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.769 -1.207 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.33 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 0.0 111.634 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -108.91 -18.29 13.72 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.053 -1.029 . . . . 0.0 111.328 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.476 ' O ' HD12 ' B' ' 40' ' ' LEU . 80.1 mm-40 -96.33 -28.11 14.65 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.816 -1.178 . . . . 0.0 110.729 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.4 mp -115.32 29.79 7.78 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.8 -25.07 61.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.237 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.72 -41.1 65.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.963 -1.086 . . . . 0.0 109.597 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -72.76 -18.51 61.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.947 . . . . 0.0 109.444 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -46.39 -34.8 4.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.294 -0.879 . . . . 0.0 110.27 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.81 -30.02 29.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.379 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.06 60.28 3.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.18 -0.95 . . . . 0.0 111.187 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.49 116.61 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 109.116 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.85 -46.84 5.5 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.135 -0.978 . . . . 0.0 109.306 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.13 64.8 6.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.88 . . . . 0.0 109.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.25 -24.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.355 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.27 -22.74 57.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -0.999 . . . . 0.0 110.383 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.52 -48.75 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.69 -1.256 . . . . 0.0 108.125 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 78.8 t -64.27 -32.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.879 -1.138 . . . . 0.0 108.759 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.21 -26.46 66.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.002 -1.061 . . . . 0.0 109.947 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -56.33 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.677 -1.265 . . . . 0.0 108.612 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -28.47 25.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 0.0 109.853 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.92 -34.8 20.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.08 -41.85 76.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.667 -1.271 . . . . 0.0 108.278 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.07 -56.93 12.72 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.689 -1.257 . . . . 0.0 108.341 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.401 ' HA ' ' HZ3' ' B' ' 33' ' ' LYS . 38.2 t70 -50.44 -21.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.158 -0.964 . . . . 0.0 108.992 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -104.03 41.47 1.29 Allowed 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.172 0.987 . . . . 0.0 109.596 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.591 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.0 t0 -43.9 -38.93 3.65 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.856 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.83 -8.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.591 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.8 m-20 -107.55 -8.74 16.1 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.85 -1.383 . . . . 0.0 112.35 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 -30.04 2.34 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 119.607 -1.933 . . . . 0.0 110.612 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -147.34 131.69 17.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.903 -1.351 . . . . 0.0 109.815 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' B' ' 27' ' ' LEU . 23.1 m -104.03 126.43 51.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 21.3 t70 -82.43 -173.97 4.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.146 -0.971 . . . . 0.0 110.623 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.473 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.2 t80 -74.62 -27.81 60.61 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.17 -34.55 78.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.049 . . . . 0.0 109.175 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -73.0 -23.13 60.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.997 -1.064 . . . . 0.0 110.042 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.6 ' O ' HG23 ' B' ' 77' ' ' VAL . 72.6 t80 -73.41 -39.81 64.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.937 -1.102 . . . . 0.0 109.657 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 72.8 mmm -69.41 -53.74 17.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.12 -1.613 . . . . 0.0 109.476 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.54 62.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.248 -1.533 . . . . 0.0 111.12 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -62.76 -34.28 76.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.696 -1.253 . . . . 0.0 109.356 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 73' ' ' PHE . 14.4 t -66.34 -33.1 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.283 -0.886 . . . . 0.0 109.07 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.83 -50.58 41.43 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.151 -0.968 . . . . 0.0 110.031 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 73.3 mtp -50.66 -38.22 45.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.127 -0.983 . . . . 0.0 110.706 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.79 -47.57 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.891 -1.131 . . . . 0.0 109.851 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -67.82 -39.77 83.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.181 -0.95 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.9 p -71.05 -22.38 62.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 108.8 179.598 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.88 -37.45 84.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.042 -1.036 . . . . 0.0 109.437 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -64.62 -49.94 69.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.915 . . . . 0.0 108.994 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' CG ' ' B' ' 42' ' ' HIS . 73.6 tt0 -51.0 -46.64 61.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 108.963 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.06 -41.27 47.55 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.709 0.766 . . . . 0.0 109.912 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.55 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.8 -29.41 55.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.787 -0.571 . . . . 0.0 111.182 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.34 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.448 -1.408 . . . . 0.0 107.894 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -67.76 -36.81 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.26 -0.9 . . . . 0.0 109.214 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.51 -48.38 81.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.172 -0.955 . . . . 0.0 108.633 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 16.5 mt -45.08 -42.48 8.69 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.346 -0.847 . . . . 0.0 108.836 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.24 -39.6 85.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ALA . 25.1 t70 -50.95 -53.61 31.49 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.635 0.731 . . . . 0.0 109.788 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.61 -46.77 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.621 -0.675 . . . . 0.0 110.991 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -53.33 -34.62 58.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.385 -1.447 . . . . 0.0 109.377 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.92 -29.65 32.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 110.327 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.23 -44.7 68.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.208 -0.933 . . . . 0.0 109.345 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -74.06 -41.95 60.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -97.25 60.8 1.68 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.265 -0.897 . . . . 0.0 110.203 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.15 -9.3 8.86 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.48 -32.36 73.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.463 -1.022 . . . . 0.0 109.315 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.8 mp0 -147.63 -43.69 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.57 -1.331 . . . . 0.0 109.853 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.59 13.12 0.24 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLU . 48.6 t0 -49.17 -61.48 2.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.203 -1.174 . . . . 0.0 108.451 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.41 12.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 45.5 p-80 -116.56 48.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -130.63 148.9 52.48 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.56 142.83 51.05 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.8 153.43 18.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.921 -1.112 . . . . 0.0 109.823 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.565 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.38 -39.33 75.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.188 -0.945 . . . . 0.0 110.207 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.26 -40.34 89.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 110.919 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.72 -34.04 64.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.329 -0.949 . . . . 0.0 109.276 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.84 -43.22 89.16 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -51.01 -57.71 7.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.533 -1.355 . . . . 0.0 108.739 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -50.03 -36.23 28.0 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.389 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.68 -46.54 72.05 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.786 -1.196 . . . . 0.0 109.454 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.9 mt -53.71 -36.42 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.669 -1.269 . . . . 0.0 109.55 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -63.48 -42.18 98.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.377 -0.827 . . . . 0.0 111.323 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 22.5 t-20 -98.4 -18.72 18.13 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.033 -1.042 . . . . 0.0 111.309 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -93.33 -29.41 15.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.766 -1.209 . . . . 0.0 110.723 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.78 30.14 7.43 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -68.67 -28.56 66.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 50.3 t-80 -74.17 -50.81 17.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.918 -1.114 . . . . 0.0 109.656 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -61.18 -28.7 69.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -46.72 -30.86 2.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.423 -0.798 . . . . 0.0 109.438 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.4 -37.16 52.55 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.01 -1.056 . . . . 0.0 109.398 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.25 59.67 4.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.284 -0.885 . . . . 0.0 110.01 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.94 110.61 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.94 -55.99 3.41 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.995 -1.066 . . . . 0.0 109.138 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 47.9 mp0 -75.45 106.37 6.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.488 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -82.36 -24.28 34.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.057 -1.027 . . . . 0.0 109.439 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.51 -22.22 59.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.302 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.17 -51.51 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.751 -1.218 . . . . 0.0 108.565 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -33.23 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 109.08 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.88 -42.92 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.283 -0.885 . . . . 0.0 109.964 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.22 -26.59 63.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.108 -0.995 . . . . 0.0 110.112 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.78 -56.59 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.793 -1.192 . . . . 0.0 108.239 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 20.1 mtt -55.15 -26.18 36.95 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.4 -0.813 . . . . 0.0 109.916 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.96 -35.17 20.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.095 -1.003 . . . . 0.0 109.053 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -69.83 -43.53 71.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.691 -1.256 . . . . 0.0 107.842 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' GLU . 72.0 mt -61.79 -57.77 10.58 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.705 -1.247 . . . . 0.0 107.994 177.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -49.38 -20.23 0.65 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.154 -0.967 . . . . 0.0 108.93 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' LEU . 94.5 mt-10 -103.52 42.64 1.15 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.236 1.017 . . . . 0.0 109.02 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.5 t0 -43.31 -35.93 1.67 Allowed 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.601 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.36 -10.8 0.01 OUTLIER Glycine 0 N--CA 1.495 2.607 0 O-C-N 122.009 -0.432 . . . . 0.0 112.429 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -106.52 -31.33 8.57 Favored 'General case' 0 N--CA 1.515 2.789 0 CA-C-N 119.444 1.622 . . . . 0.0 112.116 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.61 -26.9 21.94 Favored Glycine 0 N--CA 1.501 2.98 0 O-C-N 119.924 -1.735 . . . . 0.0 109.053 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.5 129.42 13.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.084 -1.245 . . . . 0.0 109.913 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.85 127.82 49.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.265 -0.897 . . . . 0.0 109.432 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.74 5.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.432 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.5 t80 -75.5 -31.07 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.838 . . . . 0.0 109.156 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.72 -36.85 74.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.055 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.4 -21.97 61.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 109.603 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 77' ' ' VAL . 46.1 t80 -75.58 -40.94 55.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.294 -0.879 . . . . 0.0 109.622 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.15 -47.5 67.88 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.197 -1.564 . . . . 0.0 109.119 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.26 17.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.222 -1.549 . . . . 0.0 111.576 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -58.1 -37.78 75.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.574 -1.329 . . . . 0.0 109.891 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.2 t -63.3 -31.47 52.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 108.742 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.94 -50.45 41.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.0 109.747 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.9 mmm -49.84 -39.03 37.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.72 -50.54 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.006 -1.059 . . . . 0.0 109.394 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.3 m -57.94 -41.82 83.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.112 -0.992 . . . . 0.0 108.706 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -73.95 -20.96 60.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.906 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.476 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.81 -37.55 84.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.48 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.1 tt -64.51 -49.98 69.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.024 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' CG ' ' A' ' 42' ' ' HIS . 73.5 tt0 -51.01 -46.55 61.58 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.929 . . . . 0.0 108.984 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.12 -41.31 48.34 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.765 0.793 . . . . 0.0 109.889 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.55 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.83 -29.36 55.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.776 -0.577 . . . . 0.0 111.153 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.27 73.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.459 -1.401 . . . . 0.0 107.88 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.83 -36.79 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.169 -0.957 . . . . 0.0 109.199 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 108.606 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' B' ' 9' ' ' ALA . 16.6 mt -45.13 -42.44 8.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.314 -0.866 . . . . 0.0 108.859 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 9' ' ' ALA . 25.1 t70 -50.99 -53.62 31.63 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.62 0.724 . . . . 0.0 109.811 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.56 -46.74 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.624 -0.673 . . . . 0.0 110.994 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.37 -34.59 58.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.372 -1.455 . . . . 0.0 109.372 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.93 -29.66 32.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 110.334 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.14 -44.8 68.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.291 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -74.13 -41.96 60.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.026 -1.046 . . . . 0.0 109.026 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -97.18 60.81 1.7 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.252 -0.905 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.21 -9.28 8.83 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.38 -32.46 73.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.422 -1.046 . . . . 0.0 109.348 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.8 mp0 -147.6 -43.73 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.613 -1.304 . . . . 0.0 109.899 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.58 13.07 0.24 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 48.6 t0 -49.1 -61.52 2.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -1.22 . . . . 0.0 108.4 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.38 12.35 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 45.5 p-80 -116.45 48.51 1.26 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -130.59 148.92 52.44 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.6 142.75 51.13 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.73 153.47 18.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.899 -1.126 . . . . 0.0 109.87 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.562 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.45 -39.3 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.403 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 67.1 m -60.23 -40.29 89.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 110.964 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.81 -33.99 64.42 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.286 -0.965 . . . . 0.0 109.247 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.5 tp -65.83 -43.26 89.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -50.97 -57.68 7.97 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.49 -1.381 . . . . 0.0 108.774 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -50.09 -36.13 28.18 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.425 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.77 -46.58 71.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.735 -1.228 . . . . 0.0 109.436 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.65 -36.45 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.689 -1.257 . . . . 0.0 109.574 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -63.47 -42.11 98.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -0.806 . . . . 0.0 111.322 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' B' ' 38' ' ' ASN . 22.5 t-20 -98.46 -18.74 18.06 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.054 -1.029 . . . . 0.0 111.287 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.27 -29.51 15.64 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.699 -1.251 . . . . 0.0 110.742 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.75 30.23 7.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.38 -0.825 . . . . 0.0 108.844 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -68.73 -28.48 66.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.862 . . . . 0.0 109.898 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.438 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 50.2 t-80 -74.29 -50.7 17.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.942 -1.098 . . . . 0.0 109.678 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -61.24 -28.67 69.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.568 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -46.77 -30.87 2.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -0.797 . . . . 0.0 109.45 -179.556 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -77.36 -37.15 52.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.989 -1.069 . . . . 0.0 109.424 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.27 59.69 4.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.313 -0.867 . . . . 0.0 110.101 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.92 110.63 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.93 -56.08 3.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 47.9 mp0 -75.4 106.35 6.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.923 . . . . 0.0 109.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.4 -24.17 34.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.57 -22.17 59.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.194 -0.941 . . . . 0.0 110.287 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.2 -51.52 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.648 -1.282 . . . . 0.0 108.532 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.41 -33.27 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.891 -1.131 . . . . 0.0 109.049 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.91 -42.88 94.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.277 -0.889 . . . . 0.0 109.982 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -70.24 -26.53 63.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 110.122 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 80.8 t -65.77 -56.72 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.806 -1.184 . . . . 0.0 108.189 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.415 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 20.1 mtt -55.08 -26.17 36.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.391 -0.818 . . . . 0.0 109.909 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.95 -35.23 20.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.031 -1.043 . . . . 0.0 109.021 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -69.85 -43.51 71.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.722 -1.236 . . . . 0.0 107.824 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' B' ' 62' ' ' GLU . 72.1 mt -61.83 -57.66 10.96 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.704 -1.248 . . . . 0.0 108.0 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' B' ' 57' ' ' MET . 0.9 OUTLIER -49.44 -20.15 0.66 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 108.984 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' B' ' 60' ' ' LEU . 94.6 mt-10 -103.33 42.49 1.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.187 0.994 . . . . 0.0 109.303 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.2 t0 -43.48 -35.68 1.72 Allowed 'General case' 0 C--N 1.276 -2.611 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.236 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.28 -11.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.486 0 C-N-CA 121.394 -0.431 . . . . 0.0 112.52 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.8 OUTLIER -106.41 -31.39 8.59 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.477 1.638 . . . . 0.0 112.106 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.03 21.41 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.811 -1.806 . . . . 0.0 109.077 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.4 129.4 13.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.105 -1.232 . . . . 0.0 109.91 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.87 127.83 49.91 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.242 -0.911 . . . . 0.0 109.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.73 5.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 109.799 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.443 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 29.4 t80 -75.53 -31.02 59.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.334 -0.854 . . . . 0.0 109.177 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.78 -36.81 75.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.95 -1.094 . . . . 0.0 109.001 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.42 -22.01 61.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.131 -0.981 . . . . 0.0 109.571 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.525 ' O ' HG23 ' B' ' 77' ' ' VAL . 46.2 t80 -75.52 -40.93 56.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.344 -0.847 . . . . 0.0 109.668 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.21 -47.41 67.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.194 -1.566 . . . . 0.0 109.093 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.45 -56.21 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.127 -1.608 . . . . 0.0 111.563 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.15 -37.75 75.25 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.561 -1.337 . . . . 0.0 109.863 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.3 t -63.28 -31.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.147 -0.971 . . . . 0.0 108.74 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.91 -50.44 42.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.0 109.741 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 mmm -49.8 -39.11 37.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.71 -50.49 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.99 -1.069 . . . . 0.0 109.419 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -57.97 -41.78 83.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.127 -0.983 . . . . 0.0 108.696 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -73.98 -20.98 60.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.527 -0.733 . . . . 0.0 109.853 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 10.3 p . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.04 -33.51 75.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -61.41 -49.98 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.835 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' OE1' ' OG ' ' A' ' 1' ' ' SER . 2.6 mp0 -53.16 -47.75 68.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.873 -1.142 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.58 -42.02 55.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.817 0.818 . . . . 0.0 109.771 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.18 -29.32 54.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.684 -0.635 . . . . 0.0 110.451 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.58 -45.02 94.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.713 -1.242 . . . . 0.0 108.475 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.85 -35.86 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.457 -0.777 . . . . 0.0 109.764 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.77 76.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 109.755 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -51.98 -56.23 15.5 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.904 0.859 . . . . 0.0 110.266 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.51 -37.85 47.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.86 -0.525 . . . . 0.0 110.142 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.99 -37.77 72.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.911 -1.118 . . . . 0.0 110.634 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.38 -42.69 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.439 -1.413 . . . . 0.0 109.012 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -54.34 -31.86 55.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.65 -1.281 . . . . 0.0 108.031 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.6 -31.43 47.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.616 -0.677 . . . . 0.0 110.097 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.36 -45.29 72.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.86 . . . . 0.0 109.918 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -72.47 -44.32 62.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.938 -1.101 . . . . 0.0 109.178 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -97.34 60.32 1.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 0.0 109.978 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.72 -9.56 8.28 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.13 -31.85 72.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.603 -0.94 . . . . 0.0 108.976 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' ASP . 36.7 mt-10 -148.69 -45.33 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.644 -1.285 . . . . 0.0 109.877 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.11 15.09 0.17 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 21' ' ' GLU . 89.8 m-20 -48.03 -57.33 5.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -1.191 . . . . 0.0 108.35 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.62 16.82 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -105.87 45.57 0.97 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.84 150.54 52.12 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.904 -0.498 . . . . 0.0 109.776 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.52 140.85 52.56 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.44 153.4 21.19 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.948 -1.095 . . . . 0.0 109.622 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -60.11 -41.47 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 110.338 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -56.38 -37.38 70.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 110.902 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.18 -35.38 28.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.889 -1.132 . . . . 0.0 109.035 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.48 -45.58 88.37 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' NZ ' ' CB ' ' A' ' 33' ' ' LYS . 2.2 ttmp? -52.78 -57.68 9.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.7 -1.25 . . . . 0.0 108.684 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.63 -37.41 28.01 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.08 -38.21 85.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.989 -1.069 . . . . 0.0 109.439 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.81 -34.66 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.745 -1.222 . . . . 0.0 109.324 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -64.97 -47.9 75.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.539 -0.726 . . . . 0.0 112.248 -177.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.63 6.22 42.26 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.771 -1.206 . . . . 0.0 111.79 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 3' ' ' LEU . 66.3 mm-40 -122.42 -21.47 5.77 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.023 -1.048 . . . . 0.0 110.854 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.65 24.47 9.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.128 -0.982 . . . . 0.0 109.954 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -73.55 -25.87 60.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.12 -51.39 18.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.145 -0.972 . . . . 0.0 110.043 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -64.23 -16.98 63.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.984 . . . . 0.0 109.39 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -45.82 -33.92 3.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 109.638 -179.497 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.01 -36.13 49.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.039 -1.038 . . . . 0.0 110.269 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.39 56.98 3.81 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 111.062 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.8 128.34 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.14 -55.69 2.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.275 -0.89 . . . . 0.0 109.693 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.32 107.13 6.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.158 -0.964 . . . . 0.0 109.655 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.0 -24.38 30.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.405 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -73.05 -22.53 60.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -0.886 . . . . 0.0 110.143 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.75 -47.54 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.682 -1.261 . . . . 0.0 107.777 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.47 -33.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.026 -1.046 . . . . 0.0 108.985 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.95 -45.84 89.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.44 -0.787 . . . . 0.0 109.647 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -69.84 -25.94 63.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.867 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.89 -56.97 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.783 -1.198 . . . . 0.0 107.919 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.55 -25.84 18.74 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.309 -0.869 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.4 -38.49 15.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.111 -0.993 . . . . 0.0 109.035 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.83 -46.18 72.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 23.0 tp -59.91 -57.57 12.29 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.887 -1.133 . . . . 0.0 108.14 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.08 -18.84 0.62 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 109.36 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 57.6 mm-40 -101.23 41.31 1.2 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 122.21 1.005 . . . . 0.0 109.402 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.3 t0 -44.7 -35.04 2.47 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.231 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.3 -7.17 0.01 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.423 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 63' ' ' ASP . 89.2 m-20 -104.56 -31.21 9.54 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 119.349 1.575 . . . . 0.0 111.99 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.78 -26.12 24.33 Favored Glycine 0 N--CA 1.502 3.058 0 O-C-N 119.858 -1.776 . . . . 0.0 108.881 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.85 131.32 16.7 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.271 -1.135 . . . . 0.0 109.239 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.07 127.22 52.79 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.105 -0.997 . . . . 0.0 109.569 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.09 5.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.32 -0.863 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.25 -25.71 59.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.446 -0.784 . . . . 0.0 109.253 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.38 -36.57 84.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.842 -1.162 . . . . 0.0 108.948 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.52 -22.48 61.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.212 -0.93 . . . . 0.0 109.737 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -76.24 -42.3 46.32 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -0.774 . . . . 0.0 109.203 178.582 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.41 -56.11 9.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.161 -1.587 . . . . 0.0 108.954 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.17 58.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.331 -1.481 . . . . 0.0 110.783 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.52 -34.53 72.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.72 -1.237 . . . . 0.0 109.64 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 73' ' ' PHE . 24.8 t -69.03 -32.9 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.0 108.607 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.33 -53.19 20.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.538 ' O ' ' N ' ' A' ' 83' ' ' ALA . 42.1 mtp -52.08 -52.11 53.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.0 109.895 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.05 -39.78 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.607 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -69.39 -48.73 60.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.039 -1.038 . . . . 0.0 108.82 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.3 p -72.67 -18.4 61.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.498 -0.752 . . . . 0.0 109.703 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 0.0 109.235 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.424 ' OG ' ' OE1' ' B' ' 4' ' ' GLU . 10.4 p . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.0 -33.42 75.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.497 HD13 ' OE1' ' A' ' 39' ' ' GLU . 1.1 tt -61.41 -50.01 74.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.804 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.424 ' OE1' ' OG ' ' B' ' 1' ' ' SER . 2.6 mp0 -53.19 -47.72 68.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.932 -1.105 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.7 -41.9 56.39 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.804 0.811 . . . . 0.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.2 -29.38 54.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.699 -0.625 . . . . 0.0 110.459 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.52 -45.0 94.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.743 -1.223 . . . . 0.0 108.457 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -69.96 -35.8 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.454 -0.779 . . . . 0.0 109.708 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.83 76.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.269 -0.894 . . . . 0.0 109.744 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.9 -56.22 15.43 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.884 0.85 . . . . 0.0 110.26 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.2 mt -55.59 -37.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.144 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -70.92 -37.79 72.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.896 -1.127 . . . . 0.0 110.658 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.38 -42.71 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.447 -1.408 . . . . 0.0 108.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.25 -31.86 54.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.664 -1.272 . . . . 0.0 108.013 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.72 -31.39 46.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.605 -0.684 . . . . 0.0 110.056 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.33 -45.24 72.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -72.49 -44.28 62.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.941 -1.099 . . . . 0.0 109.169 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -97.42 60.42 1.61 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.75 -9.53 8.27 Favored Glycine 0 N--CA 1.5 2.953 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.15 -31.77 72.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.616 -0.932 . . . . 0.0 108.973 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 23' ' ' ASP . 36.7 mt-10 -148.75 -45.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.694 -1.254 . . . . 0.0 109.848 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.08 15.11 0.17 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 21' ' ' GLU . 89.7 m-20 -48.07 -57.36 5.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -1.169 . . . . 0.0 108.32 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.52 16.88 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.401 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.0 p-80 -105.81 45.61 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.8 150.49 52.14 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.906 -0.496 . . . . 0.0 109.807 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.51 140.89 52.52 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.41 153.31 21.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.956 -1.09 . . . . 0.0 109.671 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -59.96 -41.59 92.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -37.38 69.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 110.939 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.22 -35.44 28.21 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.984 -1.072 . . . . 0.0 109.006 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.46 -45.61 88.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.439 ' NZ ' ' CB ' ' B' ' 33' ' ' LYS . 2.2 ttmp? -52.84 -57.6 9.66 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.626 -1.296 . . . . 0.0 108.664 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.72 -37.2 28.27 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.23 -38.16 84.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.055 -1.028 . . . . 0.0 109.436 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.82 -34.75 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.733 -1.23 . . . . 0.0 109.287 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.405 ' C ' ' ND2' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -64.89 -47.9 76.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 112.244 -177.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -89.69 6.27 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.814 -1.179 . . . . 0.0 111.759 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.498 ' OE1' HD13 ' A' ' 3' ' ' LEU . 66.3 mm-40 -122.47 -21.49 5.74 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.075 -1.015 . . . . 0.0 110.83 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.59 24.37 9.22 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.24 -0.912 . . . . 0.0 109.98 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -73.5 -25.88 60.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 109.758 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.15 -51.35 18.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.151 -0.968 . . . . 0.0 110.036 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.31 -16.99 63.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.19 -0.944 . . . . 0.0 109.39 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.57 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -45.66 -34.01 3.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.675 -179.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.05 -36.09 48.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.44 57.0 3.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 111.079 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 68.7 mt -127.81 128.27 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.12 -55.73 2.36 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.292 -0.88 . . . . 0.0 109.65 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.28 107.14 6.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -84.01 -24.38 30.56 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.072 -1.018 . . . . 0.0 109.402 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -73.05 -22.45 60.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.156 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.1 t -72.81 -47.56 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.628 -1.295 . . . . 0.0 107.733 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.46 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.08 -1.013 . . . . 0.0 108.992 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.94 -45.85 89.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.454 -0.779 . . . . 0.0 109.65 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -69.81 -25.92 64.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.198 -0.939 . . . . 0.0 109.864 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.92 -57.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.734 -1.229 . . . . 0.0 107.887 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.8 mmt -53.5 -25.83 18.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.869 . . . . 0.0 109.486 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.42 -38.51 14.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.132 -0.98 . . . . 0.0 109.035 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.7 -46.22 72.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.93 -57.57 12.31 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.862 -1.149 . . . . 0.0 108.099 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.09 -18.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.44 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -100.76 40.72 1.24 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.128 0.966 . . . . 0.0 109.697 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' B' ' 65' ' ' ASP . 27.5 t0 -45.02 -34.12 2.35 Favored 'General case' 0 C--N 1.276 -2.611 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.23 -8.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.618 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.609 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 63' ' ' ASP . 89.2 m-20 -104.14 -31.17 9.77 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.466 1.633 . . . . 0.0 112.096 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.86 -26.26 23.83 Favored Glycine 0 N--CA 1.499 2.878 0 O-C-N 119.939 -1.726 . . . . 0.0 108.85 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.72 131.22 16.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.279 -1.13 . . . . 0.0 109.244 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.0 127.22 52.77 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.139 -0.976 . . . . 0.0 109.598 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.01 5.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.3 -25.71 59.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.425 -0.797 . . . . 0.0 109.22 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.4 -36.53 84.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.88 -1.138 . . . . 0.0 108.964 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.58 -22.46 61.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -76.3 -42.21 46.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.477 -0.765 . . . . 0.0 109.213 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.5 -56.04 9.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.2 -1.563 . . . . 0.0 108.988 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.2 58.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.366 -1.459 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.51 -34.49 72.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.756 -1.215 . . . . 0.0 109.659 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 73' ' ' PHE . 24.8 t -69.07 -32.86 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.975 . . . . 0.0 108.635 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.35 -53.26 20.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.234 -0.917 . . . . 0.0 109.645 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' B' ' 83' ' ' ALA . 42.2 mtp -52.03 -52.07 53.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.173 -0.954 . . . . 0.0 109.903 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.11 -39.77 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.425 -0.797 . . . . 0.0 109.594 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.7 m -69.43 -48.72 60.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.1 p -72.71 -18.36 61.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.665 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 p . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.07 69.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.66 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.4 tt -59.62 -49.97 75.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.294 -0.879 . . . . 0.0 109.626 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.15 -47.06 84.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.002 -1.061 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -46.63 -42.95 17.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.825 0.821 . . . . 0.0 109.724 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.52 -28.65 41.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.666 -0.646 . . . . 0.0 110.749 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.17 -47.79 82.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.388 -1.445 . . . . 0.0 108.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 0.0 109.536 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.68 81.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.152 -0.967 . . . . 0.0 109.329 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.66 -45.12 27.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.876 -1.14 . . . . 0.0 109.003 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.62 -43.33 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.459 -0.897 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -50.69 -49.44 57.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.561 -0.712 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -76.79 -46.55 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 110.991 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -51.07 -33.82 27.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.531 -1.355 . . . . 0.0 109.319 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -80.47 -30.37 37.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 110.361 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -54.01 -45.02 71.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -73.91 -39.7 63.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.024 -1.047 . . . . 0.0 108.886 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.9 56.61 0.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.79 . . . . 0.0 109.912 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.7 11.09 Favored Glycine 0 N--CA 1.503 3.113 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -65.67 -32.24 73.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.589 -0.948 . . . . 0.0 109.251 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 47.0 mt-10 -146.96 -45.27 0.18 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.29 0.25 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.4 m-20 -47.9 -63.17 1.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.113 -1.227 . . . . 0.0 108.348 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -88.81 172.81 8.94 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.46 ' CE1' ' NZ ' ' A' ' 26' ' ' LYS . 21.9 p-80 -118.98 49.8 1.28 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' NZ ' ' CE1' ' A' ' 25' ' ' HIS . 50.2 mttp -130.75 147.16 52.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.894 -0.504 . . . . 0.0 109.646 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.13 52.67 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.04 149.13 25.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.01 -1.056 . . . . 0.0 109.446 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.1 pttm -57.21 -41.31 79.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.849 -1.157 . . . . 0.0 109.695 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 39.9 m -57.76 -39.61 77.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.645 -0.659 . . . . 0.0 111.137 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.27 -34.84 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.905 -1.122 . . . . 0.0 108.922 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -45.14 95.42 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.93 -57.15 12.05 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.687 -1.258 . . . . 0.0 108.829 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.01 -36.56 18.05 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.571 -0.851 . . . . 0.0 108.942 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.44 -36.31 78.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.929 . . . . 0.0 109.698 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.85 -35.73 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.806 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.64 -48.81 68.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 111.819 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.44 5.91 32.85 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.042 -1.036 . . . . 0.0 111.452 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.83 -26.61 3.45 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.989 -1.069 . . . . 0.0 111.178 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.63 12.36 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.1 -1.0 . . . . 0.0 109.138 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.75 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.427 -0.796 . . . . 0.0 109.536 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.434 ' ND1' ' C ' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -72.88 -49.82 27.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 0.0 110.067 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.04 -19.2 64.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 109.806 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.48 -25.94 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.436 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -78.48 -39.21 39.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -0.974 . . . . 0.0 109.927 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.1 57.99 3.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.266 -0.896 . . . . 0.0 110.375 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -117.72 104.5 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -83.63 -51.13 7.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.006 -1.059 . . . . 0.0 109.173 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.02 103.09 12.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.118 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.32 -21.47 45.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.93 -1.106 . . . . 0.0 109.468 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.32 -21.97 60.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.6 t -74.69 -49.97 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.62 -1.3 . . . . 0.0 108.071 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.97 -33.52 58.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.886 -1.134 . . . . 0.0 108.917 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.12 -46.57 89.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.33 -0.856 . . . . 0.0 109.647 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.16 -26.85 65.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.061 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.08 -56.15 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.69 -1.256 . . . . 0.0 108.267 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.63 -25.36 38.54 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.358 -0.838 . . . . 0.0 110.4 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -85.73 -35.43 20.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.9 -1.125 . . . . 0.0 109.28 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.91 -47.13 69.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.805 -1.184 . . . . 0.0 108.012 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.23 -56.72 18.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.642 -1.286 . . . . 0.0 107.829 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.16 -22.61 1.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 108.952 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -103.41 41.62 1.25 Allowed 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 122.106 0.955 . . . . 0.0 109.012 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 65' ' ' ASP . 22.9 p-10 -43.85 -34.12 1.52 Allowed 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.726 0.774 . . . . 0.0 109.67 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.17 -9.07 0.01 OUTLIER Glycine 0 N--CA 1.495 2.571 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.82 8.11 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 119.226 1.513 . . . . 0.0 112.101 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -26.09 23.38 Favored Glycine 0 N--CA 1.502 3.087 0 O-C-N 119.836 -1.79 . . . . 0.0 109.494 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -149.3 131.46 15.43 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.095 -1.238 . . . . 0.0 109.776 179.169 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.88 125.48 48.57 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.096 -1.002 . . . . 0.0 109.518 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.2 m-20 -83.81 -173.42 4.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.271 -0.893 . . . . 0.0 110.021 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.84 -26.43 59.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.305 -0.872 . . . . 0.0 109.052 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -62.65 -35.64 80.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.801 -1.187 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -73.18 -23.11 60.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.141 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.2 t80 -78.28 -42.07 32.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 109.566 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.56 -31.14 68.06 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.381 -1.449 . . . . 0.0 109.514 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.31 -55.24 5.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.199 -1.563 . . . . 0.0 110.906 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.28 -33.8 71.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.521 -1.362 . . . . 0.0 109.707 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 73' ' ' PHE . 39.9 t -65.1 -32.38 58.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.262 -0.898 . . . . 0.0 108.619 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.06 -51.28 40.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.48 -40.1 50.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 110.418 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.23 -57.23 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.006 -1.059 . . . . 0.0 109.516 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.6 p -60.39 -38.55 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.05 -1.031 . . . . 0.0 108.503 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -74.64 -20.83 59.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.605 -0.684 . . . . 0.0 110.061 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 O-C-N 120.895 -1.128 . . . . 0.0 108.703 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.04 69.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.944 . . . . 0.0 109.681 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.472 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.4 tt -59.71 -49.89 75.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.621 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -58.15 -47.11 84.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.055 -1.028 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -46.53 -43.05 16.62 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.827 0.822 . . . . 0.0 109.713 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.53 -28.64 41.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.72 -0.612 . . . . 0.0 110.716 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.12 -47.84 82.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.42 -1.425 . . . . 0.0 108.558 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.485 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.62 81.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.72 -45.11 28.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.927 -1.108 . . . . 0.0 109.008 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.69 -43.25 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.605 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.78 -49.44 58.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.579 -0.701 . . . . 0.0 110.049 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.9 t -76.77 -46.63 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -0.876 . . . . 0.0 110.927 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -50.95 -33.88 26.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.515 -1.366 . . . . 0.0 109.312 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -80.51 -30.34 37.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 110.351 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -53.99 -45.1 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.188 -0.945 . . . . 0.0 109.959 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -73.88 -39.62 63.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.046 -1.034 . . . . 0.0 108.934 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.98 56.63 0.96 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 109.841 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.75 11.05 Favored Glycine 0 N--CA 1.503 3.11 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -65.69 -32.23 73.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.623 -0.927 . . . . 0.0 109.186 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 23' ' ' ASP . 47.0 mt-10 -146.94 -45.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.584 -1.323 . . . . 0.0 109.923 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.27 0.25 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 21' ' ' GLU . 17.4 m-20 -47.91 -63.21 1.13 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.142 -1.21 . . . . 0.0 108.293 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -88.81 172.79 8.95 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CE1' ' NZ ' ' B' ' 26' ' ' LYS . 21.9 p-80 -118.93 49.73 1.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.463 ' NZ ' ' CE1' ' B' ' 25' ' ' HIS . 50.3 mttp -130.75 147.22 52.39 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.12 52.68 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.06 149.12 25.38 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.034 -1.041 . . . . 0.0 109.455 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.1 pttm -57.12 -41.38 78.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.85 -1.156 . . . . 0.0 109.681 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 39.6 m -57.73 -39.66 77.84 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.645 -0.659 . . . . 0.0 111.112 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.21 -34.81 37.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.889 -1.132 . . . . 0.0 108.974 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.77 -45.09 95.7 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.95 -57.1 12.25 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.681 -1.262 . . . . 0.0 108.844 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.1 -36.56 19.02 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.933 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.37 -36.36 79.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 0.0 109.706 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.83 -35.64 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.799 -1.188 . . . . 0.0 109.84 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.66 -48.81 68.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.797 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.43 5.81 33.26 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.022 -1.049 . . . . 0.0 111.463 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.73 -26.64 3.47 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.992 -1.067 . . . . 0.0 111.17 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.62 12.36 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.09 -1.006 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.81 61.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 0.3 OUTLIER -72.8 -49.87 27.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.085 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.1 -19.13 64.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.771 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.492 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.46 -25.93 2.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.288 -0.883 . . . . 0.0 109.474 -179.486 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -78.55 -39.15 38.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.161 -0.962 . . . . 0.0 109.889 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.07 57.93 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.207 -0.933 . . . . 0.0 110.422 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -117.71 104.61 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -83.7 -51.13 7.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.028 -1.045 . . . . 0.0 109.162 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.07 103.15 13.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.885 . . . . 0.0 109.09 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.34 -21.46 45.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.971 -1.081 . . . . 0.0 109.454 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -73.39 -21.97 60.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.174 -0.954 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.6 -49.99 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.678 -1.264 . . . . 0.0 108.107 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.06 -33.44 58.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 120.957 -1.089 . . . . 0.0 108.885 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.21 -46.47 89.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -0.886 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.2 -26.83 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 110.085 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.13 -56.15 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.72 -1.238 . . . . 0.0 108.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.6 -25.47 38.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.469 -0.77 . . . . 0.0 110.323 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -85.65 -35.42 20.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.962 -1.086 . . . . 0.0 109.283 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.96 -47.1 69.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.798 -1.189 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.19 -56.71 18.66 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.681 -1.262 . . . . 0.0 107.841 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.22 -22.54 1.78 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 108.94 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -103.45 41.72 1.24 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.199 0.999 . . . . 0.0 109.272 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' B' ' 65' ' ' ASP . 22.9 p-10 -43.59 -34.37 1.4 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.03 -9.08 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.019 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.581 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.71 8.16 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 119.145 1.473 . . . . 0.0 112.113 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.1 -26.29 22.57 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 119.769 -1.832 . . . . 0.0 109.447 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -149.2 131.51 15.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.129 -1.218 . . . . 0.0 109.715 179.28 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.94 125.53 48.65 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.176 -0.953 . . . . 0.0 109.468 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 1.2 m-20 -83.87 -173.44 4.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.013 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -74.83 -26.37 59.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.087 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.74 -35.62 80.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.936 -1.102 . . . . 0.0 108.372 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -73.14 -23.14 60.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.472 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.2 t80 -78.35 -42.02 31.77 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.52 -31.2 68.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.373 -1.454 . . . . 0.0 109.527 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.25 -55.25 5.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.241 -1.537 . . . . 0.0 110.919 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.25 -33.86 71.54 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.536 -1.352 . . . . 0.0 109.708 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.1 t -65.07 -32.37 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 0.0 108.633 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.12 -51.15 41.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.301 -0.874 . . . . 0.0 109.565 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.56 -40.02 50.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.968 . . . . 0.0 110.447 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.27 -57.24 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.966 -1.084 . . . . 0.0 109.479 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.8 p -60.39 -38.56 84.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.089 -1.007 . . . . 0.0 108.507 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 m -74.69 -20.8 59.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.553 -0.717 . . . . 0.0 110.05 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.162 . . . . 0.0 108.693 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.1 -34.51 78.2 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.066 -1.021 . . . . 0.0 109.385 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.4 tt -57.56 -52.88 63.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.296 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -53.1 -46.96 68.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.76 -44.55 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.947 0.88 . . . . 0.0 109.346 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.72 -29.55 51.26 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.919 -0.488 . . . . 0.0 110.723 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.43 ' SD ' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -62.81 -47.15 84.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.678 -1.264 . . . . 0.0 108.545 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.03 -35.99 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.485 -0.759 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.79 76.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.896 -1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.88 -55.72 21.09 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.955 0.883 . . . . 0.0 110.269 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.04 -43.11 68.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.894 -0.504 . . . . 0.0 110.371 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.93 -36.89 78.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.779 -1.2 . . . . 0.0 110.578 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.65 -36.08 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.479 -1.388 . . . . 0.0 108.91 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.77 -31.77 66.84 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.063 -1.023 . . . . 0.0 108.346 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.08 -30.47 43.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.57 -0.706 . . . . 0.0 109.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.472 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 13.3 tm0? -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.074 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.472 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 24.0 m-85 -75.01 -41.22 59.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.083 -1.01 . . . . 0.0 109.323 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 18' ' ' SER . 15.2 p -97.24 57.58 1.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.58 -11.26 8.02 Favored Glycine 0 N--CA 1.501 3.013 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.14 -29.73 69.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.528 -0.983 . . . . 0.0 108.794 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' ASP . 7.7 pt-20 -147.85 -45.68 0.16 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.675 -1.266 . . . . 0.0 110.02 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.73 7.45 0.28 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' GLU . 57.7 t0 -49.37 -61.88 1.85 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.285 . . . . 0.0 108.269 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.2 -178.43 5.65 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -129.25 48.87 2.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.51 145.82 51.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.76 -0.587 . . . . 0.0 109.717 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.7 142.49 51.36 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -94.67 158.99 15.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.079 -1.013 . . . . 0.0 109.924 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -63.04 -37.95 89.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.08 -43.67 95.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 111.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.25 -33.42 49.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.95 -1.094 . . . . 0.0 109.084 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.04 -43.27 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.51 -56.42 13.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.636 -1.29 . . . . 0.0 108.712 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.6 -34.03 7.32 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.498 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.86 -46.79 70.74 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.925 -1.109 . . . . 0.0 109.476 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.25 -35.15 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.818 -1.176 . . . . 0.0 109.768 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -68.07 -26.8 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 112.145 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.71 -18.86 13.72 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.956 -1.09 . . . . 0.0 111.66 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' C ' HD12 ' A' ' 40' ' ' LEU . 11.0 mm-40 -102.37 -26.12 13.4 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.843 -1.161 . . . . 0.0 110.828 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 39' ' ' GLU . 7.4 mp -112.76 24.02 12.87 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 p -72.85 -26.02 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.485 -0.759 . . . . 0.0 109.734 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.9 -50.35 20.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.065 -1.022 . . . . 0.0 110.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLU . 79.6 m-85 -64.22 -25.58 68.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.145 -0.972 . . . . 0.0 109.669 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.52 -16.88 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.287 -0.883 . . . . 0.0 109.174 -179.561 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' PHE . 54.3 tt0 -82.93 -42.28 17.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 110.144 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -85.7 58.11 4.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.222 -0.924 . . . . 0.0 110.281 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.6 mm -117.38 104.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.515 -0.741 . . . . 0.0 109.058 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.93 -44.52 7.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.143 -0.973 . . . . 0.0 109.524 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLU . 16.7 tp10 -87.56 66.07 8.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.0 108.997 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.31 -20.99 0.06 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 110.69 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' GLU . 20.4 mt-10 -74.04 -24.73 59.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 111.031 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.75 -49.78 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.374 -1.454 . . . . 0.0 108.021 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.17 -33.49 58.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 108.56 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.47 -45.77 90.7 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -68.38 -27.24 66.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 109.706 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.22 -56.07 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.615 -1.303 . . . . 0.0 107.574 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -29.11 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.119 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.18 -38.7 16.15 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.03 -1.044 . . . . 0.0 109.151 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.2 m -66.6 -42.31 87.07 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.72 -57.65 6.0 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.874 -1.141 . . . . 0.0 108.295 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -50.73 -19.49 0.96 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.08 -1.012 . . . . 0.0 109.234 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.33 43.08 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.35 1.071 . . . . 0.0 108.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 65' ' ' ASP . 39.8 t0 -44.22 -32.76 1.35 Allowed 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.405 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.12 -10.45 0.01 OUTLIER Glycine 0 N--CA 1.499 2.883 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.6 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.1 p30 -106.13 -31.48 8.68 Favored 'General case' 0 N--CA 1.512 2.645 0 CA-C-N 119.264 1.532 . . . . 0.0 112.022 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.63 -24.34 27.44 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 119.918 -1.738 . . . . 0.0 109.271 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.74 131.07 15.61 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.123 -1.222 . . . . 0.0 109.719 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 63' ' ' ASP . 10.8 m -105.31 126.92 52.65 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 109.441 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.14 -171.77 3.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.05 -36.12 64.34 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.2 -37.53 77.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.866 -1.146 . . . . 0.0 109.288 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -73.78 -24.99 59.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.282 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 10.2 t80 -76.32 -41.15 49.47 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.17 -26.74 67.56 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.639 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.31 42.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.368 -1.457 . . . . 0.0 110.02 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -64.1 -32.63 74.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.556 -1.34 . . . . 0.0 109.354 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.535 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -66.94 -35.65 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 109.23 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 p -71.51 -55.48 7.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.145 -0.972 . . . . 0.0 110.125 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.05 48.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 110.475 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.0 -42.78 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.076 -1.015 . . . . 0.0 109.875 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -68.64 -42.44 78.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.909 -1.119 . . . . 0.0 108.526 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -72.98 -20.4 61.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.525 -0.734 . . . . 0.0 109.742 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.009 -1.057 . . . . 0.0 108.577 179.633 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.1 -34.51 78.21 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.414 ' O ' HD23 ' B' ' 3' ' ' LEU . 3.4 tt -57.53 -52.91 63.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -53.13 -47.04 68.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.948 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.68 -44.57 38.02 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.948 0.88 . . . . 0.0 109.341 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.77 -29.49 50.99 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.43 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -62.88 -47.08 84.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.647 -1.283 . . . . 0.0 108.575 179.561 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.02 -35.97 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.557 -0.714 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.83 76.24 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.877 -1.139 . . . . 0.0 109.22 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.87 -55.79 20.54 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.294 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.02 -43.08 67.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.919 -0.488 . . . . 0.0 110.389 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.794 -1.191 . . . . 0.0 110.569 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.67 -36.09 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.461 -1.399 . . . . 0.0 108.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -57.73 -31.85 66.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.001 -1.062 . . . . 0.0 108.346 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.09 -30.32 43.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 13.3 tm0? -54.81 -45.32 74.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.472 -0.767 . . . . 0.0 110.075 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 24.1 m-85 -74.98 -41.18 60.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 109.339 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.2 p -97.25 57.57 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 109.54 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.52 -11.29 8.05 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.11 -29.71 69.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.982 . . . . 0.0 108.778 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 23' ' ' ASP . 7.8 pt-20 -147.86 -45.78 0.16 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.572 -1.33 . . . . 0.0 109.977 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.75 7.37 0.28 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' B' ' 21' ' ' GLU . 57.7 t0 -49.31 -61.89 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 108.274 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.25 -178.49 5.65 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 1.0 OUTLIER -129.19 48.92 2.3 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.5 145.8 51.92 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.844 -0.535 . . . . 0.0 109.76 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -124.71 142.49 51.36 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.402 ' H ' HD23 ' B' ' 27' ' ' LEU . 85.6 mttt -94.67 159.01 15.26 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.088 -1.008 . . . . 0.0 109.906 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -63.07 -37.93 89.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.379 -0.826 . . . . 0.0 110.258 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.14 -43.6 95.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.95 . . . . 0.0 111.346 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -78.23 -33.49 49.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.989 -1.07 . . . . 0.0 109.125 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.06 -43.27 92.82 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.44 -56.45 13.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.627 -1.296 . . . . 0.0 108.743 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.68 -33.95 7.51 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.488 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.89 -46.79 70.67 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.849 -1.157 . . . . 0.0 109.442 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.26 -35.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.903 -1.123 . . . . 0.0 109.751 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -67.99 -26.87 66.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 112.192 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.68 -18.83 13.73 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.993 -1.067 . . . . 0.0 111.654 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 40' ' ' LEU . 11.0 mm-40 -102.38 -26.1 13.4 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.774 -1.204 . . . . 0.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.422 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.3 mp -112.76 24.04 12.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.22 -0.925 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -72.89 -26.0 61.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.495 -0.753 . . . . 0.0 109.718 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.96 -50.33 20.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.086 -1.009 . . . . 0.0 109.975 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.462 ' C ' ' N ' ' B' ' 45' ' ' GLU . 79.6 m-85 -64.28 -25.56 68.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.444 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -47.58 -16.83 0.07 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' B' ' 43' ' ' PHE . 54.3 tt0 -82.97 -42.27 17.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 110.109 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -85.69 58.1 4.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.265 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.43 104.27 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.47 -0.769 . . . . 0.0 109.0 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.91 -44.63 7.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.175 -0.953 . . . . 0.0 109.461 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 51' ' ' GLU . 16.6 tp10 -87.53 66.06 8.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.105 -0.997 . . . . 0.0 109.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -45.24 -21.09 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.664 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 49' ' ' GLU . 20.4 mt-10 -74.03 -24.71 59.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 111.023 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.74 -49.84 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.336 -1.478 . . . . 0.0 107.979 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.12 -33.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.019 -1.051 . . . . 0.0 108.519 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.38 -45.8 90.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.489 -0.757 . . . . 0.0 109.448 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -68.46 -27.22 65.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 0.0 109.638 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.15 -56.17 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.657 -1.277 . . . . 0.0 107.58 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -29.16 20.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.462 -0.774 . . . . 0.0 109.109 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.19 -38.62 16.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.0 109.161 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.3 m -66.71 -42.24 86.67 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.74 -57.61 6.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 108.247 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.73 -19.49 0.97 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.244 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -101.25 43.05 1.08 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.369 1.081 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' B' ' 65' ' ' ASP . 40.1 t0 -44.18 -32.72 1.32 Allowed 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.064 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.1 -10.7 0.01 OUTLIER Glycine 0 N--CA 1.494 2.561 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.713 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' B' ' 63' ' ' ASP . 1.1 p30 -105.96 -31.61 8.69 Favored 'General case' 0 N--CA 1.51 2.566 0 CA-C-N 119.237 1.518 . . . . 0.0 111.973 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -24.47 26.78 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 119.872 -1.768 . . . . 0.0 109.216 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.69 130.99 15.58 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.127 -1.219 . . . . 0.0 109.702 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.439 ' SG ' ' CG ' ' B' ' 63' ' ' ASP . 10.8 m -105.31 126.95 52.67 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.12 -0.988 . . . . 0.0 109.454 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.17 -171.74 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.253 -0.904 . . . . 0.0 110.453 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.09 -36.06 64.24 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.26 -37.47 77.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.843 -1.161 . . . . 0.0 109.282 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -73.8 -25.03 59.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.061 -1.025 . . . . 0.0 110.253 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 10.2 t80 -76.36 -41.04 49.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.25 -26.69 67.48 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.354 -1.466 . . . . 0.0 108.649 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.06 -45.24 42.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.346 -1.471 . . . . 0.0 110.028 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.1 -32.68 74.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.579 -1.326 . . . . 0.0 109.321 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.547 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.2 t -66.89 -35.7 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.244 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 p -71.46 -55.54 7.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.143 -0.973 . . . . 0.0 110.161 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.03 48.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.14 -0.975 . . . . 0.0 110.524 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.98 -42.8 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.076 -1.015 . . . . 0.0 109.863 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.9 m -68.71 -42.37 77.79 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.899 -1.125 . . . . 0.0 108.53 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -72.99 -20.43 61.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.538 -0.726 . . . . 0.0 109.731 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.068 -1.02 . . . . 0.0 108.557 179.644 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 54.2 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.41 -33.39 67.82 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -63.41 -49.97 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.863 . . . . 0.0 109.8 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -52.82 -48.2 67.12 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.855 -1.153 . . . . 0.0 109.086 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.59 -43.19 46.14 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.651 0.739 . . . . 0.0 109.724 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.22 -31.02 49.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.758 -0.589 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.37 -47.74 82.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.632 -1.292 . . . . 0.0 107.855 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.76 -37.26 77.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.525 -0.734 . . . . 0.0 109.115 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.09 79.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.282 -0.886 . . . . 0.0 108.704 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.25 -47.24 24.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 108.853 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.7 -43.37 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.89 -50.5 34.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.559 0.695 . . . . 0.0 110.045 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -76.59 -33.9 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.6 -0.688 . . . . 0.0 111.106 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.45 -34.56 75.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.27 -1.519 . . . . 0.0 108.894 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.09 -32.45 33.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.444 -0.785 . . . . 0.0 110.067 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -54.09 -45.87 71.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.39 -47.81 53.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.019 -1.051 . . . . 0.0 109.234 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.3 p -100.07 60.95 1.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.37 -0.831 . . . . 0.0 110.045 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.01 -13.12 5.57 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -66.07 -29.55 69.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -1.044 . . . . 0.0 109.01 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.5 pt-20 -147.6 -45.7 0.17 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.611 -1.306 . . . . 0.0 109.504 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.38 18.02 0.09 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.9 m-20 -48.16 -53.95 15.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.15 -1.206 . . . . 0.0 108.302 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.73 -179.96 5.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -132.84 45.59 2.72 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -137.47 150.14 47.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.609 -0.682 . . . . 0.0 109.427 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.12 142.18 47.7 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.316 -0.865 . . . . 0.0 108.917 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -93.27 149.51 21.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.102 -0.999 . . . . 0.0 109.219 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.546 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -54.77 -38.67 67.51 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.755 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -61.8 -45.16 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 110.547 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -80.33 -36.71 33.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.933 -1.104 . . . . 0.0 108.678 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.71 -43.2 94.21 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.76 -55.66 21.21 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.705 -1.247 . . . . 0.0 108.757 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.91 -35.53 10.71 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.464 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.19 -38.86 86.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.963 -1.086 . . . . 0.0 109.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -59.85 -33.94 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.661 -1.274 . . . . 0.0 109.601 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.79 -55.68 15.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.409 -0.807 . . . . 0.0 111.993 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.82 5.52 18.49 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.046 -1.034 . . . . 0.0 111.867 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 40' ' ' LEU . 78.0 mm-40 -122.49 -26.84 4.51 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.988 -1.07 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 39' ' ' GLU . 6.7 mp -118.53 23.57 11.43 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.01 -28.08 63.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 109.565 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -73.88 -49.72 23.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.0 109.464 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.21 -18.67 64.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.93 . . . . 0.0 109.401 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -48.27 -51.55 25.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 110.294 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.43 -29.88 64.53 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.193 -0.942 . . . . 0.0 109.697 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.84 59.83 3.76 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.273 -0.892 . . . . 0.0 110.726 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.0 mt -124.17 115.09 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.377 -0.827 . . . . 0.0 108.796 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.67 -47.65 6.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.045 -1.034 . . . . 0.0 109.098 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.78 106.87 17.99 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.347 -0.845 . . . . 0.0 109.265 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.23 -23.5 35.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.01 -22.81 59.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.34 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -75.57 -50.24 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 120.62 -1.3 . . . . 0.0 107.946 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.33 -33.32 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.946 -1.096 . . . . 0.0 108.853 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.14 -44.34 95.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.623 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.0 -26.55 65.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.841 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.21 -55.76 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.75 -1.219 . . . . 0.0 108.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.74 -25.15 17.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.375 -0.828 . . . . 0.0 110.293 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.82 -34.13 21.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.8 -1.188 . . . . 0.0 109.23 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.0 p -67.84 -48.5 66.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.797 -1.189 . . . . 0.0 107.926 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.3 mt -60.13 -57.67 11.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.645 -1.284 . . . . 0.0 108.474 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.61 -23.98 2.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.018 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -101.07 41.17 1.2 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.308 1.052 . . . . 0.0 108.847 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 65' ' ' ASP . 47.5 t0 -43.98 -41.21 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.142 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 -8.32 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.816 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 63' ' ' ASP . 91.6 m-20 -108.56 -8.7 15.45 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-N 119.216 1.508 . . . . 0.0 112.471 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.42 -28.63 2.66 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 119.733 -1.854 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.24 132.89 15.83 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.914 -1.345 . . . . 0.0 110.53 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.2 127.34 51.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.279 -0.888 . . . . 0.0 109.045 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 44.5 t0 -84.58 -174.5 5.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.219 -0.925 . . . . 0.0 109.893 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 23.6 t80 -74.52 -32.56 62.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.352 -0.842 . . . . 0.0 109.068 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -56.98 -37.65 71.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.905 -1.122 . . . . 0.0 108.733 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.48 -24.89 61.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 77' ' ' VAL . 47.8 t80 -76.6 -39.52 52.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.099 -1.0 . . . . 0.0 109.134 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.74 -33.53 72.58 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.492 -1.38 . . . . 0.0 109.006 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.16 4.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.208 -1.558 . . . . 0.0 110.368 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.07 -33.92 65.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.687 -1.258 . . . . 0.0 109.158 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 73' ' ' PHE . 23.7 t -64.66 -35.26 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 108.811 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.6 p -68.16 -52.38 35.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 0.0 109.461 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.14 -41.54 49.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 0.0 110.324 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.41 -50.58 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.3 m -57.15 -43.9 82.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.417 -0.802 . . . . 0.0 109.786 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -59.88 -49.82 76.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.543 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.881 -179.494 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.32 -33.46 67.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.183 -0.948 . . . . 0.0 109.432 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.496 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.1 tt -63.44 -49.89 71.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.814 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -48.16 67.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.838 -1.164 . . . . 0.0 109.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.66 -43.18 46.86 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.701 0.762 . . . . 0.0 109.715 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.17 -31.07 49.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.662 -0.649 . . . . 0.0 110.52 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.36 -47.73 82.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.689 -1.257 . . . . 0.0 107.839 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.8 -37.2 77.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.507 -0.745 . . . . 0.0 109.123 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.03 79.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 108.694 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.3 -47.23 25.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 0.0 108.86 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.71 -43.33 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.88 -50.49 34.68 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.569 0.699 . . . . 0.0 110.055 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.64 -33.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.594 -0.692 . . . . 0.0 111.09 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.54 -34.54 75.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.258 -1.526 . . . . 0.0 108.824 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.12 -32.43 33.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 110.073 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -54.06 -45.87 71.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.761 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.43 -47.88 53.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -100.0 60.97 1.09 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.416 -0.803 . . . . 0.0 110.065 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.02 -13.02 5.6 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -66.13 -29.62 69.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.385 -1.067 . . . . 0.0 108.961 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 23' ' ' ASP . 15.6 pt-20 -147.56 -45.74 0.17 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.607 -1.308 . . . . 0.0 109.513 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.51 18.0 0.1 OUTLIER Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.9 m-20 -48.24 -53.88 15.53 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.157 -1.202 . . . . 0.0 108.296 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.67 -179.97 5.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.87 45.58 2.72 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -137.46 150.15 47.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.631 . . . . 0.0 109.429 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.16 142.18 47.72 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.365 -0.835 . . . . 0.0 108.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -93.21 149.49 21.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.129 -0.982 . . . . 0.0 109.275 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -54.76 -38.71 67.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.083 -1.01 . . . . 0.0 109.733 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.9 p -61.84 -45.06 95.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 110.565 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -80.37 -36.67 33.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.006 -1.059 . . . . 0.0 108.657 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.79 -43.15 94.56 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.7 -55.74 20.5 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.746 -1.222 . . . . 0.0 108.78 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.89 -35.55 10.66 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.488 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.13 -38.9 86.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.925 -1.109 . . . . 0.0 109.878 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -59.83 -33.89 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.685 -1.259 . . . . 0.0 109.628 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -55.69 15.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.964 -177.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.76 5.5 18.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.032 -1.042 . . . . 0.0 111.87 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.537 ' O ' HD12 ' B' ' 40' ' ' LEU . 78.0 mm-40 -122.51 -26.91 4.49 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.955 -1.091 . . . . 0.0 110.704 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD12 ' O ' ' B' ' 39' ' ' GLU . 6.7 mp -118.51 23.64 11.39 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.238 -0.914 . . . . 0.0 109.225 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -27.99 63.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 0.0 109.582 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -73.88 -49.77 23.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.506 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -64.12 -18.67 64.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.32 -51.55 25.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.796 . . . . 0.0 110.275 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.39 -29.92 64.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.231 -0.918 . . . . 0.0 109.723 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.82 59.82 3.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 110.776 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.14 115.05 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.359 -0.838 . . . . 0.0 108.861 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.59 -47.63 7.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.976 -1.077 . . . . 0.0 109.156 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.81 106.87 18.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.361 -0.837 . . . . 0.0 109.247 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.22 -23.47 35.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.663 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.06 -22.78 59.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.363 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -75.59 -50.28 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.671 -1.268 . . . . 0.0 107.959 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.3 -33.29 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.976 -1.078 . . . . 0.0 108.893 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -60.1 -44.29 94.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.697 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.06 -26.52 65.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 109.824 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.24 -55.75 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.718 -1.239 . . . . 0.0 108.405 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.75 -25.12 17.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.84 -34.1 21.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.765 -1.21 . . . . 0.0 109.289 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -67.82 -48.59 65.81 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.76 -1.212 . . . . 0.0 107.939 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.1 -57.64 11.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.689 -1.257 . . . . 0.0 108.483 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.6 -23.95 2.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.116 -0.99 . . . . 0.0 108.979 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.97 41.1 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.314 1.054 . . . . 0.0 109.156 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.588 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.7 t0 -44.06 -41.11 5.28 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.7 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.06 -8.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.911 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.588 ' H ' ' C ' ' B' ' 63' ' ' ASP . 91.5 m-20 -108.45 -8.69 15.52 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 119.11 1.455 . . . . 0.0 112.626 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.45 -28.81 2.64 Favored Glycine 0 N--CA 1.492 2.421 0 O-C-N 119.66 -1.9 . . . . 0.0 110.355 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.14 132.84 15.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.91 -1.347 . . . . 0.0 110.479 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.22 127.4 51.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.234 -0.916 . . . . 0.0 109.074 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 44.4 t0 -84.56 -174.49 5.3 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.191 -0.943 . . . . 0.0 109.857 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.466 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 23.4 t80 -74.56 -32.57 62.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.0 109.072 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -56.95 -37.67 71.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.006 -1.058 . . . . 0.0 108.787 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.4 -25.05 61.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.57 ' O ' HG23 ' B' ' 77' ' ' VAL . 47.6 t80 -76.57 -39.45 52.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 109.148 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.539 -1.351 . . . . 0.0 109.027 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.85 -56.18 4.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.18 -1.575 . . . . 0.0 110.363 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -55.98 -33.99 65.32 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 109.138 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 73' ' ' PHE . 23.5 t -64.63 -35.28 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 108.75 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.8 p -68.14 -52.44 34.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.0 109.455 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.1 -41.55 48.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.0 110.321 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -73.47 -50.5 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.682 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 35.8 m -57.18 -43.89 83.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 0.0 109.735 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.9 p -59.83 -49.9 75.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.152 -0.967 . . . . 0.0 109.525 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.878 -179.476 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 20' ' ' ARG . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 32' ' ' LEU . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.485 HE21 ' CG ' ' A' ' 54' ' ' ASP . 45.7 tp60 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CG ' HE21 ' A' ' 50' ' ' GLN . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 76' ' ' PHE . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 60' ' ' LEU . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 43' ' ' PHE . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.478 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.461 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.468 HD12 ' N ' ' B' ' 11' ' ' ILE . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.54 ' O ' HD23 ' B' ' 32' ' ' LEU . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CE2' HG23 ' B' ' 81' ' ' THR . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.484 HE21 ' CG ' ' B' ' 54' ' ' ASP . 45.8 tp60 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.484 ' CG ' HE21 ' B' ' 50' ' ' GLN . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' B' ' 76' ' ' PHE . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.587 ' O ' HG23 ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' B' ' 60' ' ' LEU . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.45 HG23 ' CE2' ' B' ' 43' ' ' PHE . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.542 ' H3 ' ' CE1' ' B' ' 42' ' ' HIS . 19.7 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.434 ' H ' ' H2 ' ' A' ' 0' ' ' MET . 8.9 p -62.72 167.53 4.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.25 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -54.7 -34.24 62.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.217 -0.927 . . . . 0.0 109.477 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.2 tt -63.1 -48.51 78.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.739 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.7 OUTLIER -51.58 -47.02 63.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.961 -1.087 . . . . 0.0 109.067 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.16 -43.35 41.79 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.802 0.81 . . . . 0.0 109.433 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.12 -31.05 49.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.828 -0.545 . . . . 0.0 110.385 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.6 tpt -61.18 -47.62 85.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.716 -1.24 . . . . 0.0 108.262 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.9 t -64.97 -35.6 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.356 -0.84 . . . . 0.0 109.041 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.52 -47.11 82.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.879 . . . . 0.0 108.94 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.14 -47.84 34.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.982 . . . . 0.0 108.642 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.85 -44.35 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.74 -50.19 45.24 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 121.405 0.621 . . . . 0.0 110.192 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.64 -35.67 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.448 -0.783 . . . . 0.0 111.177 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.86 -33.9 76.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.245 -1.534 . . . . 0.0 108.645 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -77.36 -33.09 55.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.639 -0.663 . . . . 0.0 110.047 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.43 -44.54 72.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 109.961 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.43 -44.17 65.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.979 -1.076 . . . . 0.0 109.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.6 61.0 1.34 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.303 -0.873 . . . . 0.0 110.253 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.57 -10.37 9.45 Favored Glycine 0 N--CA 1.502 3.081 0 N-CA-C 107.69 -2.164 . . . . 0.0 107.69 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -65.32 -32.76 74.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.573 -0.957 . . . . 0.0 109.363 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 23.4 mt-10 -146.49 -45.19 0.19 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.604 -1.31 . . . . 0.0 110.184 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.18 11.0 0.19 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.2 m-20 -49.17 -57.18 7.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.067 -1.255 . . . . 0.0 108.545 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.38 -178.23 5.3 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -130.31 46.55 2.64 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.54 149.72 52.27 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.834 -0.541 . . . . 0.0 109.659 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -123.64 140.0 53.43 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.39 153.92 20.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.971 -1.08 . . . . 0.0 109.658 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 30' ' ' SER . 37.6 pttt -62.7 -42.38 99.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.125 -0.984 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.48 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 23.1 t -55.96 -39.59 71.98 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.0 110.358 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -83.13 -33.9 26.18 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.976 -1.078 . . . . 0.0 108.45 179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.2 tt -60.19 -48.13 83.02 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.17 -55.94 17.76 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.513 -1.367 . . . . 0.0 108.688 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.46 -35.87 9.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 109.318 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -37.85 89.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.866 -1.146 . . . . 0.0 108.276 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.01 -35.03 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 120.854 -1.154 . . . . 0.0 109.209 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.95 -24.97 66.13 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.387 -0.821 . . . . 0.0 111.31 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 40.4 t-20 -118.31 4.4 11.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.228 -0.92 . . . . 0.0 110.485 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' O ' HD22 ' A' ' 40' ' ' LEU . 6.1 tp10 -123.95 -27.02 3.97 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.188 -0.945 . . . . 0.0 110.525 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 39' ' ' GLU . 3.9 mm? -117.58 13.47 14.32 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.346 -0.846 . . . . 0.0 109.168 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.33 -25.98 61.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.279 -0.888 . . . . 0.0 110.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CE1' ' H3 ' ' B' ' 0' ' ' MET . 67.6 m80 -74.2 -50.1 20.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.082 -1.011 . . . . 0.0 110.249 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -66.32 -19.84 65.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 109.979 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 47' ' ' ILE . 32.7 tp -48.48 -28.37 3.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.279 -0.888 . . . . 0.0 109.966 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -74.56 -38.26 62.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.931 -1.105 . . . . 0.0 110.027 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 40.3 mt-10 -90.48 55.59 3.07 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.219 -0.926 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 48' ' ' LYS . 52.7 mt -128.8 162.98 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 47' ' ' ILE . 74.8 tttt -143.05 -46.26 0.3 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.227 -0.921 . . . . 0.0 109.803 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.68 60.23 0.34 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.023 -1.048 . . . . 0.0 109.171 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.8 mm100 -44.82 -27.88 0.57 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.21 -23.33 61.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.34 -48.05 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.67 -35.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 O-C-N 120.896 -1.127 . . . . 0.0 108.945 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.84 -44.54 82.18 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.88 -26.47 63.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.199 -0.938 . . . . 0.0 109.748 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.7 -57.55 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 120.677 -1.264 . . . . 0.0 108.207 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.58 -27.05 15.21 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.303 -0.873 . . . . 0.0 109.758 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.25 -32.8 22.39 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.947 -1.096 . . . . 0.0 108.634 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.0 m -69.09 -45.14 71.02 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' CG ' ' A' ' 76' ' ' PHE . 3.2 mm? -58.86 -58.65 7.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.561 -1.337 . . . . 0.0 108.184 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.93 -23.46 5.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.226 -0.921 . . . . 0.0 109.326 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -101.91 39.92 1.4 Allowed 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.217 1.008 . . . . 0.0 109.423 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.574 ' C ' ' H ' ' A' ' 65' ' ' ASP . 15.5 t0 -44.79 -39.19 5.05 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.626 0.727 . . . . 0.0 109.978 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 -7.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.47 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.576 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 63' ' ' ASP . 14.3 t70 -107.56 -8.41 16.2 Favored 'General case' 0 N--CA 1.512 2.663 0 CA-C-N 119.081 1.44 . . . . 0.0 112.303 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.02 -28.48 2.55 Favored Glycine 0 N--CA 1.494 2.513 0 O-C-N 119.714 -1.867 . . . . 0.0 110.449 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -151.3 133.48 15.25 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.898 -1.354 . . . . 0.0 110.226 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.3 m -104.77 126.87 52.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.287 -0.883 . . . . 0.0 109.037 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.37 5.09 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.57 -32.66 64.27 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.82 -36.61 77.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 108.914 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.58 -26.31 61.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.172 -0.955 . . . . 0.0 109.787 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 77' ' ' VAL . 80.9 t80 -75.68 -39.47 57.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.282 -0.886 . . . . 0.0 109.193 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.84 -28.65 67.74 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.425 -1.422 . . . . 0.0 108.634 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.91 -54.83 6.07 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.251 -1.531 . . . . 0.0 110.232 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CG ' HD21 ' A' ' 60' ' ' LEU . 37.2 m-85 -56.95 -32.99 66.58 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.609 -1.307 . . . . 0.0 109.385 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' PHE . 49.5 t -68.66 -34.76 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.114 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.6 p -70.29 -52.98 18.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 0.0 109.844 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 83' ' ' ALA . 13.8 mtt -51.46 -50.99 58.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.022 -1.049 . . . . 0.0 109.805 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.6 t -59.62 -42.4 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.57 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -69.61 -47.97 61.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.983 . . . . 0.0 108.888 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.3 p -72.82 -17.03 61.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 109.832 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -51.41 -40.79 60.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.069 -1.02 . . . . 0.0 108.799 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 41.7 t -73.42 84.96 1.48 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.77 135.75 3.8 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 110.385 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 57.22 60.21 3.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CE2' ' CZ ' ' A' ' 88' ' ' PHE . 2.9 p90 -69.02 -25.96 64.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.17 -0.956 . . . . 0.0 108.84 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' CE2' ' A' ' 87' ' ' PHE . 56.1 m-85 -52.85 -34.58 54.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 0.0 109.257 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -73.19 63.58 0.72 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.87 . . . . 0.0 109.28 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.417 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 1.7 t-80 -74.8 117.74 16.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.334 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.429 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.514 ' H3 ' ' CE1' ' A' ' 42' ' ' HIS . 19.7 ttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.428 ' H ' ' H2 ' ' B' ' 0' ' ' MET . 8.8 p -62.69 167.47 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 0.0 109.228 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 0.7 OUTLIER -54.66 -34.24 61.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.479 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.461 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.2 tt -63.1 -48.46 78.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 0.0 109.742 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 1' ' ' SER . 0.7 OUTLIER -51.64 -47.01 63.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.986 -1.071 . . . . 0.0 109.031 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -49.05 -43.46 40.85 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.829 0.823 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.06 -31.09 50.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.801 -0.562 . . . . 0.0 110.403 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 tpt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.735 -1.228 . . . . 0.0 108.19 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -64.96 -35.52 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.398 -0.814 . . . . 0.0 109.061 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.13 82.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 108.92 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -48.07 -47.88 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -44.38 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -49.73 -50.25 44.85 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.59 -35.6 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.408 -0.808 . . . . 0.0 111.212 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.9 -33.95 76.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.237 -1.539 . . . . 0.0 108.58 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -77.36 -33.04 55.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.605 -0.684 . . . . 0.0 110.085 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.45 -44.54 72.62 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.389 -0.82 . . . . 0.0 109.966 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.44 -44.18 65.3 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.96 -1.088 . . . . 0.0 109.202 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -98.57 60.98 1.34 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.335 -0.853 . . . . 0.0 110.279 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.62 -10.31 9.46 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 107.708 -2.157 . . . . 0.0 107.708 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -65.4 -32.72 74.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.561 -0.964 . . . . 0.0 109.362 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 23' ' ' ASP . 23.3 mt-10 -146.46 -45.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.611 -1.306 . . . . 0.0 110.229 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.23 10.92 0.19 Allowed Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.2 m-20 -49.12 -57.27 6.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.052 -1.263 . . . . 0.0 108.469 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -90.34 -178.19 5.3 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -130.34 46.53 2.64 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -132.6 149.7 52.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.525 . . . . 0.0 109.683 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 tp -123.6 140.0 53.44 Favored 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -88.44 153.95 20.76 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.944 -1.097 . . . . 0.0 109.62 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' B' ' 30' ' ' SER . 37.5 pttt -62.67 -42.44 99.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.097 -1.002 . . . . 0.0 110.233 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.473 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 23.0 t -55.99 -39.58 72.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.361 -0.837 . . . . 0.0 110.317 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -83.18 -33.82 26.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.013 -1.054 . . . . 0.0 108.445 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.526 ' O ' HD23 ' B' ' 32' ' ' LEU . 5.2 tt -60.24 -48.16 82.93 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.15 -55.84 18.39 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.524 -1.36 . . . . 0.0 108.741 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -47.61 -35.8 9.82 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.367 -0.833 . . . . 0.0 109.279 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.95 -37.87 89.08 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.902 -1.124 . . . . 0.0 108.32 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.8 mt -63.98 -35.0 72.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.864 -1.148 . . . . 0.0 109.251 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.96 -24.99 66.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.781 . . . . 0.0 111.322 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' B' ' 38' ' ' ASN . 40.2 t-20 -118.26 4.43 11.91 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.205 -0.935 . . . . 0.0 110.552 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.436 ' O ' HD22 ' B' ' 40' ' ' LEU . 6.1 tp10 -124.0 -27.01 3.95 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.192 -0.942 . . . . 0.0 110.492 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.436 HD22 ' O ' ' B' ' 39' ' ' GLU . 3.9 mm? -117.58 13.5 14.33 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.361 -0.837 . . . . 0.0 109.147 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -72.43 -25.93 61.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -0.898 . . . . 0.0 110.176 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.542 ' CE1' ' H3 ' ' A' ' 0' ' ' MET . 67.5 m80 -74.16 -50.15 20.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.096 -1.003 . . . . 0.0 110.268 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -66.25 -19.92 65.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.965 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.42 ' HA ' HD12 ' B' ' 47' ' ' ILE . 32.8 tp -48.44 -28.38 3.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 0.0 109.994 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -74.51 -38.23 62.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.915 -1.116 . . . . 0.0 110.11 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.438 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 40.4 mt-10 -90.57 55.68 3.07 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.188 -0.945 . . . . 0.0 110.822 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.502 HG22 ' N ' ' B' ' 48' ' ' LYS . 52.1 mt -128.91 162.94 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.502 ' N ' HG22 ' B' ' 47' ' ' ILE . 74.8 tttt -143.01 -46.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.2 -0.938 . . . . 0.0 109.814 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.75 60.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.0 -1.062 . . . . 0.0 109.141 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' B' ' 48' ' ' LYS . 20.8 mm100 -44.87 -27.88 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.367 -0.833 . . . . 0.0 110.506 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.19 -23.39 61.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.089 -1.007 . . . . 0.0 110.018 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -73.32 -48.0 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.652 -1.28 . . . . 0.0 107.574 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.66 -35.82 74.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.996 -1.065 . . . . 0.0 108.91 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.82 -44.5 82.08 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.502 -0.749 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.96 -26.39 63.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.19 -0.944 . . . . 0.0 109.746 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.74 -57.53 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.663 -1.273 . . . . 0.0 108.184 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.9 mmt -52.62 -27.01 15.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.318 -0.864 . . . . 0.0 109.732 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -85.34 -32.84 22.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.919 -1.113 . . . . 0.0 108.57 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.0 m -69.02 -45.16 71.21 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' B' ' 76' ' ' PHE . 3.2 mm? -58.86 -58.64 7.73 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.564 -1.335 . . . . 0.0 108.201 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -51.84 -23.48 4.85 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.185 -0.947 . . . . 0.0 109.35 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -101.95 40.03 1.39 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.28 1.038 . . . . 0.0 109.739 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' B' ' 65' ' ' ASP . 15.2 t0 -44.56 -39.5 4.98 Favored 'General case' 0 C--N 1.275 -2.641 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.491 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.81 -7.79 0.01 OUTLIER Glycine 0 N--CA 1.49 2.266 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.684 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' B' ' 63' ' ' ASP . 14.3 t70 -107.58 -8.35 16.2 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.794 -1.415 . . . . 0.0 112.368 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.11 -28.58 2.56 Favored Glycine 0 N--CA 1.492 2.394 0 O-C-N 119.664 -1.898 . . . . 0.0 110.395 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -151.28 133.43 15.24 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.908 -1.348 . . . . 0.0 110.251 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 80.4 m -104.74 126.86 52.24 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.295 -0.878 . . . . 0.0 109.01 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.3 -174.44 5.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.18 -0.95 . . . . 0.0 110.139 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -73.51 -32.7 64.39 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -59.78 -36.69 77.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.866 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.56 -26.34 61.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.132 -0.98 . . . . 0.0 109.757 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.484 ' O ' HG23 ' B' ' 77' ' ' VAL . 80.9 t80 -75.6 -39.57 57.78 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.311 -0.868 . . . . 0.0 109.195 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.7 tpt -67.83 -28.68 67.78 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.399 -1.438 . . . . 0.0 108.618 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.83 -54.86 6.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.351 -1.468 . . . . 0.0 110.28 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' B' ' 60' ' ' LEU . 37.6 m-85 -56.92 -32.99 66.52 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.504 -1.373 . . . . 0.0 109.362 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 73' ' ' PHE . 49.2 t -68.68 -34.8 66.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.264 -0.897 . . . . 0.0 109.055 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.6 p -70.25 -53.01 18.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.896 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 13.9 mtt -51.36 -51.1 57.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.003 -1.061 . . . . 0.0 109.789 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.58 -42.38 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.338 -0.852 . . . . 0.0 109.542 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 20.5 m -69.59 -48.0 61.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 108.859 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -72.87 -16.98 61.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.466 -0.771 . . . . 0.0 109.811 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -51.46 -40.72 60.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.035 . . . . 0.0 108.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 41.8 t -73.4 84.93 1.47 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 135.76 3.8 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.475 -0.765 . . . . 0.0 110.401 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 57.19 60.23 3.04 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.447 -0.783 . . . . 0.0 109.974 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.572 ' CE2' ' CZ ' ' B' ' 88' ' ' PHE . 2.9 p90 -69.03 -25.98 64.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.09 -1.006 . . . . 0.0 108.762 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' CE2' ' B' ' 87' ' ' PHE . 55.8 m-85 -52.8 -34.66 54.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 109.232 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -73.04 63.46 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.413 ' NE2' ' OE2' ' B' ' 46' ' ' GLU . 1.7 t-80 -74.73 117.64 16.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.331 -0.856 . . . . 0.0 109.353 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.432 -179.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p -62.28 172.6 1.42 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.069 -1.019 . . . . 0.0 109.102 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 20' ' ' ARG . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 32' ' ' LEU . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.485 HE21 ' CG ' ' A' ' 54' ' ' ASP . 45.7 tp60 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CG ' HE21 ' A' ' 50' ' ' GLN . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 76' ' ' PHE . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 60' ' ' LEU . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 43' ' ' PHE . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.1 -26.4 37.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' ND1' ' A' ' 85' ' ' HIS . 42.7 t -75.0 151.87 38.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.043 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' ND1' ' SG ' ' A' ' 84' ' ' CYS . 34.8 p-80 -49.86 177.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.23 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.296 -0.877 . . . . 0.0 109.787 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 20.0 p90 -61.51 -24.45 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.696 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 54.4 m-85 -50.77 -38.92 50.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.094 -1.004 . . . . 0.0 109.013 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 91' ' ' GLU . 5.1 mp0 -84.98 67.31 10.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.81 . . . . 0.0 109.1 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.18 35.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p -62.34 172.56 1.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.045 -1.034 . . . . 0.0 109.018 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.478 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.461 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.468 HD12 ' N ' ' B' ' 11' ' ' ILE . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.54 ' O ' HD23 ' B' ' 32' ' ' LEU . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CE2' HG23 ' B' ' 81' ' ' THR . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.485 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.484 HE21 ' CG ' ' B' ' 54' ' ' ASP . 45.8 tp60 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.484 ' CG ' HE21 ' B' ' 50' ' ' GLN . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' B' ' 76' ' ' PHE . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.587 ' O ' HG23 ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' B' ' 60' ' ' LEU . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.45 HG23 ' CE2' ' B' ' 43' ' ' PHE . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.14 -26.34 37.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.504 ' SG ' ' ND1' ' B' ' 85' ' ' HIS . 42.5 t -75.15 151.89 38.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.333 -0.855 . . . . 0.0 108.996 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' ND1' ' SG ' ' B' ' 84' ' ' CYS . 34.9 p-80 -49.9 177.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.113 -0.992 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.24 100.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.234 -0.916 . . . . 0.0 109.802 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 20.2 p90 -61.5 -24.42 66.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 54.2 m-85 -50.81 -38.85 50.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.104 -0.997 . . . . 0.0 109.03 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' B' ' 91' ' ' GLU . 5.1 mp0 -85.04 67.32 10.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.431 -0.793 . . . . 0.0 109.087 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -75.19 35.38 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' B' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.401 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 77.3 mtp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.5 p -84.08 174.27 10.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.328 -0.857 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -62.15 -33.47 74.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.965 . . . . 0.0 109.429 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.7 tt -63.26 -53.23 56.21 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 0.0 109.708 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.08 -47.82 65.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.657 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.88 -40.25 42.18 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.795 0.807 . . . . 0.0 109.55 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.13 -27.91 54.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.873 -0.517 . . . . 0.0 110.884 -179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.66 -46.15 89.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.725 -1.234 . . . . 0.0 108.556 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 8' ' ' VAL . 3.0 t -69.74 -35.46 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.497 -0.752 . . . . 0.0 110.003 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.57 77.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.52 -57.74 8.22 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 122.009 0.909 . . . . 0.0 110.133 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.1 mt -53.77 -40.05 41.86 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.544 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.74 -37.67 76.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.927 -1.108 . . . . 0.0 109.906 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.91 -41.38 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.693 -1.254 . . . . 0.0 108.544 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.78 -34.56 74.67 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.832 -1.168 . . . . 0.0 108.407 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -76.52 -31.58 57.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.785 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.17 -43.4 67.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.508 -0.745 . . . . 0.0 109.78 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.24 -44.62 64.96 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.077 -1.014 . . . . 0.0 109.141 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -97.35 58.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.327 -0.858 . . . . 0.0 110.149 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.79 -15.09 6.42 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.059 -2.016 . . . . 0.0 108.059 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -63.28 -32.29 73.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.48 -1.012 . . . . 0.0 109.041 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 51.3 mt-10 -147.29 -44.91 0.17 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.679 -1.263 . . . . 0.0 109.018 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.93 17.39 0.09 OUTLIER Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 77.5 m-20 -48.22 -57.21 6.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -1.109 . . . . 0.0 108.171 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 24' ' ' LYS . 9.9 mptt -92.09 176.57 6.45 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 39.3 p-80 -125.41 50.31 1.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -131.52 146.18 52.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.846 -0.534 . . . . 0.0 109.605 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 68' ' ' CYS . 16.1 tp -122.79 144.31 49.27 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -94.14 152.19 18.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.104 -0.997 . . . . 0.0 110.009 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.4 -38.79 74.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 110.219 179.391 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 p -60.19 -40.72 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 -178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -79.0 -33.61 44.82 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.028 -1.045 . . . . 0.0 108.738 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.52 -58.28 7.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.671 -1.268 . . . . 0.0 108.744 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.66 -38.47 55.04 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.95 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.48 -37.87 80.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.123 -0.986 . . . . 0.0 109.612 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.74 -33.87 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 108.638 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.56 -55.77 18.31 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.542 -0.724 . . . . 0.0 111.678 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.74 5.99 12.01 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.926 -1.108 . . . . 0.0 111.639 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -122.41 -26.8 4.55 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 120.992 -1.067 . . . . 0.0 110.412 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.53 24.32 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.124 -0.985 . . . . 0.0 109.875 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.0 -26.18 61.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.181 -0.95 . . . . 0.0 109.808 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -73.17 -50.86 20.24 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.973 -1.08 . . . . 0.0 109.745 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.67 -17.17 60.05 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.29 -0.881 . . . . 0.0 109.346 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.77 -35.04 21.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.766 . . . . 0.0 109.793 -179.516 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.46 -38.0 68.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.866 -1.146 . . . . 0.0 109.956 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.614 ' CD ' ' HE2' ' A' ' 90' ' ' HIS . 86.2 mt-10 -85.56 59.25 5.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.84 109.39 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 121.28 -0.887 . . . . 0.0 109.288 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.25 -44.98 9.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.164 -0.96 . . . . 0.0 109.233 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 37.8 mp0 -86.41 103.64 15.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.332 -0.855 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.66 -24.1 39.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.964 -1.085 . . . . 0.0 109.519 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -74.32 -22.94 59.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.826 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.64 -47.84 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.411 -1.43 . . . . 0.0 107.727 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -63.29 -32.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.939 -1.101 . . . . 0.0 108.931 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -59.55 -46.05 90.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.382 -0.824 . . . . 0.0 109.536 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' O ' ' OG1' ' A' ' 59' ' ' THR . 69.8 mmtt -69.49 -26.74 64.7 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.453 -0.78 . . . . 0.0 109.889 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.48 -56.91 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.721 -1.237 . . . . 0.0 108.428 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.43 -26.17 40.41 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.428 -0.795 . . . . 0.0 110.343 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.82 -35.07 20.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.882 -1.136 . . . . 0.0 109.32 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 55' ' ' LYS . 2.8 m -68.64 -43.78 75.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.685 -1.259 . . . . 0.0 108.271 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.76 -56.99 14.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.792 -1.192 . . . . 0.0 108.264 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.79 -20.78 1.38 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.972 -1.08 . . . . 0.0 109.053 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -102.3 41.62 1.21 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 122.14 0.971 . . . . 0.0 109.356 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' A' ' 65' ' ' ASP . 32.1 t0 -43.38 -32.31 0.82 Allowed 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.83 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.0 -10.4 0.01 OUTLIER Glycine 0 N--CA 1.498 2.786 0 O-C-N 122.01 -0.431 . . . . 0.0 112.5 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.9 p30 -108.75 -31.7 7.61 Favored 'General case' 0 N--CA 1.515 2.824 0 CA-C-N 119.434 1.617 . . . . 0.0 112.333 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.53 -25.86 23.23 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 119.792 -1.818 . . . . 0.0 109.65 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 46.5 mt-10 -147.37 131.26 17.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.124 -1.221 . . . . 0.0 109.509 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LEU . 3.6 m -105.0 126.88 52.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.191 -0.943 . . . . 0.0 109.192 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.65 -174.36 5.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.907 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.52 -32.6 62.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 108.782 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.75 -37.75 74.18 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.963 -1.086 . . . . 0.0 109.02 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.62 61.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.012 -1.055 . . . . 0.0 109.58 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -72.93 -40.58 65.32 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.059 -1.026 . . . . 0.0 109.056 178.289 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.59 -53.92 16.54 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.198 -1.564 . . . . 0.0 109.435 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.95 -50.17 67.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.173 -1.579 . . . . 0.0 111.218 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.65 -34.37 78.07 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.659 -1.276 . . . . 0.0 109.839 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 73' ' ' PHE . 19.7 t -67.15 -35.99 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.131 -0.981 . . . . 0.0 108.858 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 p -65.5 -50.42 65.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.099 -1.001 . . . . 0.0 109.286 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.6 mtp -50.82 -38.43 48.68 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.341 -0.849 . . . . 0.0 110.562 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.0 t -72.19 -39.06 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.99 -1.069 . . . . 0.0 109.783 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.65 -45.68 74.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.047 . . . . 0.0 108.588 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.96 -18.06 61.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.474 -0.766 . . . . 0.0 109.729 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.12 -31.19 40.81 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.205 -0.934 . . . . 0.0 109.049 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.602 ' HG ' ' CE1' ' A' ' 85' ' ' HIS . 20.6 t -72.88 149.82 43.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.46 -0.775 . . . . 0.0 109.146 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.602 ' CE1' ' HG ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -49.02 175.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -43.89 101.51 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.898 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 33.7 p90 -66.38 -24.47 66.49 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.13 -0.982 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 49.8 m-85 -51.24 -42.15 60.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 0.0 108.711 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . 45.3 tt0 -94.04 49.22 1.3 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.614 ' HE2' ' CD ' ' A' ' 46' ' ' GLU . 56.8 t-80 -59.09 81.6 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.435 -0.791 . . . . 0.0 109.449 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' GLU . 64.2 mm-40 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.403 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 77.2 mtp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.4 p -84.14 174.33 10.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.316 -0.865 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -62.17 -33.51 74.65 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.385 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.7 tt -63.25 -53.21 56.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 109.735 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -52.09 -47.83 65.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.01 -1.056 . . . . 0.0 109.599 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -49.82 -40.31 41.54 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-O 121.807 0.813 . . . . 0.0 109.577 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.08 -27.93 54.39 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.885 -0.509 . . . . 0.0 110.867 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.7 tpt -62.61 -46.22 89.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.739 -1.226 . . . . 0.0 108.59 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.69 -35.41 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.468 -0.77 . . . . 0.0 110.096 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.56 77.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.088 -1.007 . . . . 0.0 109.591 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 mt -51.5 -57.72 8.27 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.094 0.949 . . . . 0.0 110.137 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt -53.81 -40.1 42.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -69.73 -37.65 76.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.912 -1.118 . . . . 0.0 109.915 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.9 -41.43 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 120.748 -1.22 . . . . 0.0 108.508 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -60.78 -34.61 74.74 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.796 -1.19 . . . . 0.0 108.371 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.48 -31.6 57.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.804 . . . . 0.0 109.981 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -53.26 -43.3 67.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.524 -0.735 . . . . 0.0 109.772 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -71.2 -44.74 64.81 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.05 -1.031 . . . . 0.0 109.133 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -97.3 58.51 1.52 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 110.171 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -15.01 6.41 Favored Glycine 0 N--CA 1.503 3.158 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -63.34 -32.21 73.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -1.068 . . . . 0.0 109.059 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 51.3 mt-10 -147.38 -44.82 0.17 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.739 -1.225 . . . . 0.0 108.994 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 44.87 17.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 77.6 m-20 -48.18 -57.29 6.1 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.321 -1.106 . . . . 0.0 108.139 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' B' ' 24' ' ' LYS . 9.9 mptt -92.06 176.52 6.47 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 39.4 p-80 -125.39 50.4 1.8 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -131.62 146.2 52.08 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' B' ' 68' ' ' CYS . 16.2 tp -122.84 144.22 49.34 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -94.05 152.17 18.98 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.559 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.3 -38.89 74.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.276 -0.89 . . . . 0.0 110.252 179.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.42 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 p -60.12 -40.76 90.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.81 . . . . 0.0 110.993 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.92 -33.68 45.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.046 -1.034 . . . . 0.0 108.738 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.34 -42.73 99.17 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.58 -58.25 7.85 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.671 -1.268 . . . . 0.0 108.745 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -51.73 -38.37 54.99 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.489 -0.885 . . . . 0.0 108.998 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 tp -68.5 -37.84 80.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.091 -1.006 . . . . 0.0 109.674 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.7 -33.93 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.618 -1.301 . . . . 0.0 108.651 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.57 -55.77 18.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.55 -0.719 . . . . 0.0 111.678 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -79.69 5.99 11.9 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.985 -1.072 . . . . 0.0 111.692 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -122.46 -26.81 4.53 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.026 -1.046 . . . . 0.0 110.371 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -121.49 24.36 9.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 121.136 -0.978 . . . . 0.0 109.896 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -73.04 -26.18 61.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.202 -0.936 . . . . 0.0 109.81 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -73.13 -50.88 20.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.022 -1.049 . . . . 0.0 109.746 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -62.73 -17.06 60.21 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.298 -0.876 . . . . 0.0 109.382 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.56 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.81 -35.11 21.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.749 -179.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -72.37 -37.97 68.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.844 -1.16 . . . . 0.0 110.03 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.633 ' CD ' ' HE2' ' B' ' 90' ' ' HIS . 86.2 mt-10 -85.54 59.21 5.49 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mm -123.85 109.3 22.68 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.229 -0.919 . . . . 0.0 109.3 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -90.2 -45.06 9.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -0.982 . . . . 0.0 109.176 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 37.9 mp0 -86.31 103.69 15.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.288 -0.883 . . . . 0.0 109.229 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.72 -24.17 38.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.942 -1.099 . . . . 0.0 109.518 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -74.31 -22.93 59.04 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 110.769 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -72.66 -47.77 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.421 -1.425 . . . . 0.0 107.821 177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.4 t -63.3 -32.76 57.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.005 -1.06 . . . . 0.0 108.916 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.6 -45.96 90.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.349 -0.845 . . . . 0.0 109.531 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -69.56 -26.71 64.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.436 -0.79 . . . . 0.0 109.861 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 91.2 t -66.52 -56.89 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.735 -1.228 . . . . 0.0 108.434 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.6 mmt -55.45 -26.19 40.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.792 . . . . 0.0 110.315 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -85.79 -35.13 20.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.896 -1.128 . . . . 0.0 109.281 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.61 -43.76 75.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.647 -1.283 . . . . 0.0 108.277 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.83 -56.93 15.39 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.723 -1.236 . . . . 0.0 108.242 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -50.76 -20.79 1.37 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 0.0 109.015 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -102.34 41.62 1.21 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 122.235 1.016 . . . . 0.0 109.622 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.577 ' O ' ' N ' ' B' ' 65' ' ' ASP . 32.3 t0 -43.06 -32.59 0.7 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.455 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.91 -10.39 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 O-C-N 122.038 -0.413 . . . . 0.0 112.639 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' B' ' 63' ' ' ASP . 1.9 p30 -108.68 -31.79 7.6 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 119.35 1.575 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.67 -25.93 22.79 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.779 -1.825 . . . . 0.0 109.603 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.4 mt-10 -147.3 131.25 17.16 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.109 -1.23 . . . . 0.0 109.45 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 3.6 m -105.04 126.85 52.52 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.249 -0.907 . . . . 0.0 109.172 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.57 -174.39 5.26 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.309 -0.87 . . . . 0.0 109.944 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.53 -32.55 62.51 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.21 -0.931 . . . . 0.0 108.819 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -57.74 -37.78 74.2 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.923 -1.11 . . . . 0.0 109.025 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.58 -23.58 61.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.023 -1.048 . . . . 0.0 109.53 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.492 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -72.99 -40.63 65.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.018 -1.052 . . . . 0.0 109.047 178.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.0 tpt -69.54 -53.92 16.64 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 120.22 -1.55 . . . . 0.0 109.477 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.88 -50.22 66.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.159 -1.588 . . . . 0.0 111.187 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.73 -34.32 77.92 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.631 -1.293 . . . . 0.0 109.821 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 73' ' ' PHE . 19.7 t -67.16 -35.95 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.118 -0.989 . . . . 0.0 108.908 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 14.1 p -65.53 -50.38 65.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.068 -1.02 . . . . 0.0 109.32 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 76.8 mtp -50.85 -38.45 49.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -0.872 . . . . 0.0 110.545 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 99.3 t -72.06 -39.2 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.953 -1.092 . . . . 0.0 109.791 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -67.61 -45.71 74.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.949 -1.094 . . . . 0.0 108.598 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -72.91 -18.0 61.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.537 -0.727 . . . . 0.0 109.777 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.14 -31.17 40.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 109.064 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.545 ' HG ' ' CE1' ' B' ' 85' ' ' HIS . 20.6 t -72.9 149.75 43.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 0.0 109.17 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.545 ' CE1' ' HG ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -48.89 175.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.156 -0.965 . . . . 0.0 109.155 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -43.87 101.53 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 109.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 33.4 p90 -66.48 -24.39 66.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.187 -0.946 . . . . 0.0 109.219 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 50.0 m-85 -51.24 -42.18 60.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.162 -0.961 . . . . 0.0 108.678 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 91' ' ' GLU . 45.2 tt0 -94.0 49.18 1.3 Allowed 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.633 ' HE2' ' CD ' ' B' ' 46' ' ' GLU . 56.9 t-80 -59.1 81.66 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.524 -0.735 . . . . 0.0 109.464 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 89' ' ' GLU . 64.1 mm-40 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.413 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.216 0.531 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p -68.79 169.74 10.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.305 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -57.36 -34.93 69.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.8 tt -61.7 -48.46 80.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 109.732 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -49.86 -46.4 51.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.914 -1.116 . . . . 0.0 109.246 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.13 -41.1 35.05 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.879 0.847 . . . . 0.0 109.257 179.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.733 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.42 -32.39 42.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.831 -0.543 . . . . 0.0 110.84 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -46.65 88.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.736 -1.228 . . . . 0.0 108.294 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.578 -0.701 . . . . 0.0 109.549 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.04 -48.59 79.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.282 -0.886 . . . . 0.0 109.292 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.99 -55.56 16.77 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 122.031 0.919 . . . . 0.0 109.932 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.477 HG23 ' CD1' ' B' ' 87' ' ' PHE . 95.4 mt -54.74 -41.31 55.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.662 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.03 -36.71 72.47 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.785 -1.197 . . . . 0.0 110.684 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.06 -42.43 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.397 -1.439 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -55.63 -31.93 62.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.672 -1.268 . . . . 0.0 107.88 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.75 -32.68 52.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.482 -0.761 . . . . 0.0 109.874 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.71 -45.43 70.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.429 -0.794 . . . . 0.0 110.097 -178.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -72.39 -47.18 51.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.0 -1.062 . . . . 0.0 109.492 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.12 59.78 1.17 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 109.92 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.44 -14.11 4.52 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 108.551 -1.82 . . . . 0.0 108.551 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -65.82 -27.49 68.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.273 -1.134 . . . . 0.0 109.004 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.3 tt0 -146.35 -46.12 0.19 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.576 -1.327 . . . . 0.0 109.215 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.26 19.3 0.13 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 21' ' ' GLU . 15.0 t70 -49.3 -55.04 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.077 -1.249 . . . . 0.0 108.174 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.88 163.02 14.54 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.71 45.15 1.26 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.13 152.05 51.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.761 -0.587 . . . . 0.0 109.56 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -123.16 140.97 52.47 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -89.4 153.2 21.03 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.961 -1.087 . . . . 0.0 109.545 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -39.62 92.82 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.1 -1.0 . . . . 0.0 110.066 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.24 -41.11 87.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.423 -0.798 . . . . 0.0 111.184 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.25 -34.7 36.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.008 -1.057 . . . . 0.0 109.1 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.75 -44.27 97.22 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -53.38 -55.51 24.36 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.738 -1.226 . . . . 0.0 109.099 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -47.14 -34.34 6.03 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 119.538 -0.865 . . . . 0.0 109.709 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.16 -43.83 77.34 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.82 -1.175 . . . . 0.0 109.477 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.03 -38.05 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 120.728 -1.232 . . . . 0.0 109.373 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.39 -26.77 68.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.44 -0.787 . . . . 0.0 111.253 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -116.06 4.75 13.74 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.23 -0.919 . . . . 0.0 111.09 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 40' ' ' LEU . 6.7 tp10 -120.32 -28.55 5.01 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 121.064 -1.023 . . . . 0.0 110.514 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.3 mp -118.03 23.63 11.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.357 -0.839 . . . . 0.0 108.816 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.26 -25.71 63.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.579 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.54 -42.93 61.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.163 -0.961 . . . . 0.0 109.381 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -69.89 -23.44 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 109.52 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.94 -29.38 3.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.374 -0.829 . . . . 0.0 109.663 -179.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.03 -41.13 64.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.871 -1.143 . . . . 0.0 109.954 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' OE1' ' NE2' ' A' ' 90' ' ' HIS . 25.4 mt-10 -87.23 59.38 5.53 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.273 -0.892 . . . . 0.0 110.0 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.53 102.04 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.434 -0.791 . . . . 0.0 109.074 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 85' ' ' HIS . 29.9 mmtm -87.08 -40.68 14.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 mp0 -85.62 105.81 16.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.295 -0.878 . . . . 0.0 109.199 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 24.9 mp0 -82.96 -28.43 29.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.106 -0.996 . . . . 0.0 109.561 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -73.49 -22.2 60.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.434 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -75.09 -50.35 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.697 -1.252 . . . . 0.0 108.238 178.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.32 -33.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.885 -1.134 . . . . 0.0 109.018 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.16 -42.76 91.51 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 109.606 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.19 -26.76 64.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.215 -0.928 . . . . 0.0 109.802 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.4 -55.56 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 120.681 -1.262 . . . . 0.0 108.329 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.64 -25.33 17.35 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.405 -0.809 . . . . 0.0 110.204 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -85.66 -34.84 21.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.882 -1.136 . . . . 0.0 109.349 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.15 -48.92 66.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.679 -1.263 . . . . 0.0 108.137 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.41 -56.72 18.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.633 -1.292 . . . . 0.0 108.257 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.74 -24.7 6.19 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.234 -0.917 . . . . 0.0 109.199 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.87 39.75 1.35 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 122.26 1.029 . . . . 0.0 109.18 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.9 t70 -45.22 -35.32 3.24 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.59 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.95 -8.84 0.01 OUTLIER Glycine 0 N--CA 1.497 2.718 0 CA-C-O 119.759 -0.467 . . . . 0.0 112.649 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 63' ' ' ASP . 2.7 p30 -106.2 -31.47 8.65 Favored 'General case' 0 N--CA 1.515 2.783 0 CA-C-N 119.658 1.729 . . . . 0.0 112.324 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 104.39 -26.57 22.36 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 119.898 -1.751 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 49.1 mt-10 -148.83 130.92 15.38 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.058 -1.26 . . . . 0.0 109.781 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.5 125.96 49.39 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.1 -1.0 . . . . 0.0 109.284 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 29.1 t70 -83.93 -174.63 5.39 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.263 -0.898 . . . . 0.0 109.818 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.1 t80 -76.39 -33.92 58.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 109.232 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.94 -39.25 81.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.914 -1.116 . . . . 0.0 109.063 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.38 -23.21 61.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.111 -0.993 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 23.5 t80 -77.58 -41.38 39.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.846 . . . . 0.0 109.736 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.81 -27.2 67.37 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.226 -1.546 . . . . 0.0 108.762 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.16 -52.47 9.21 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.31 -1.494 . . . . 0.0 110.246 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 -33.93 71.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.605 -1.309 . . . . 0.0 109.608 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.57 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 45.5 t -63.59 -33.49 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.094 -1.004 . . . . 0.0 108.982 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.3 p -70.48 -52.56 21.16 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 0.0 110.235 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 83.8 mtp -50.35 -38.49 42.44 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.236 -0.915 . . . . 0.0 110.918 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.51 -49.99 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.964 -1.085 . . . . 0.0 109.862 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m -60.16 -41.64 93.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.937 -1.102 . . . . 0.0 108.742 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.4 p -73.03 -21.24 60.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.56 -0.713 . . . . 0.0 109.833 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.54 -26.98 56.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.048 -1.032 . . . . 0.0 109.065 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' HIS . 19.1 p -73.55 150.07 41.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.417 -0.802 . . . . 0.0 109.41 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.509 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -47.91 174.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.887 . . . . 0.0 109.727 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -47.45 99.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.383 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 30.1 p90 -64.9 -24.55 67.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.126 -0.984 . . . . 0.0 109.538 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 23.9 m-85 -52.88 -42.02 64.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.03 -1.044 . . . . 0.0 108.992 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' GLU . 49.8 mt-10 -103.31 55.27 0.75 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.743 -0.598 . . . . 0.0 109.539 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.457 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 11.7 t-80 -67.0 67.62 0.07 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.234 -0.916 . . . . 0.0 109.327 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' GLU . 41.8 mm-40 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 52.4 p -68.83 169.74 10.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.259 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -57.32 -34.92 69.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.538 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.8 tt -61.69 -48.5 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.274 -0.892 . . . . 0.0 109.726 -179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.84 -46.44 51.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.884 -1.135 . . . . 0.0 109.194 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -49.14 -41.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.854 0.835 . . . . 0.0 109.294 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.733 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.48 -32.4 42.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.839 -0.538 . . . . 0.0 110.815 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -46.69 88.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.654 -1.279 . . . . 0.0 108.306 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.6 -36.76 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.548 -0.72 . . . . 0.0 109.541 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.05 -48.53 79.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 109.339 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.02 -55.48 17.24 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.025 0.917 . . . . 0.0 109.952 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.477 HG23 ' CD1' ' A' ' 87' ' ' PHE . 95.4 mt -54.89 -41.24 56.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.98 -36.86 72.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.849 -1.157 . . . . 0.0 110.697 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.96 -42.45 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.374 -1.454 . . . . 0.0 108.936 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.61 -31.85 62.6 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.715 -1.241 . . . . 0.0 107.953 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -77.82 -32.66 52.41 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.541 -0.724 . . . . 0.0 109.896 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -53.69 -45.43 70.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.461 -0.774 . . . . 0.0 110.144 -178.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -72.33 -47.25 51.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.988 -1.07 . . . . 0.0 109.47 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -99.1 59.83 1.17 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.345 -0.847 . . . . 0.0 109.843 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.45 -14.1 4.52 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -65.77 -27.56 68.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.206 -1.173 . . . . 0.0 109.018 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.3 tt0 -146.27 -46.15 0.2 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.604 -1.31 . . . . 0.0 109.213 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.28 19.35 0.13 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 21' ' ' GLU . 14.9 t70 -49.33 -55.06 14.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.991 -1.299 . . . . 0.0 108.13 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -90.92 163.07 14.51 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -111.77 45.27 1.25 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -134.17 152.05 51.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.747 -0.596 . . . . 0.0 109.558 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.0 tp -123.23 140.99 52.45 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -89.41 153.17 21.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.977 -1.077 . . . . 0.0 109.575 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -39.65 92.79 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.054 -1.029 . . . . 0.0 110.061 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.6 p -59.23 -41.14 88.01 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.16 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -80.24 -34.69 36.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.01 -1.056 . . . . 0.0 109.137 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 22.5 tp -61.66 -44.42 96.99 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -53.33 -55.51 24.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.808 -1.183 . . . . 0.0 109.077 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -47.19 -34.3 6.2 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.668 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 61.2 tp -68.13 -43.89 77.32 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.811 -1.181 . . . . 0.0 109.413 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.2 mt -55.04 -38.01 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.69 -1.256 . . . . 0.0 109.392 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -65.47 -26.65 68.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 111.272 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -116.11 4.79 13.7 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.266 -0.896 . . . . 0.0 111.083 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.442 ' O ' HD12 ' B' ' 40' ' ' LEU . 6.7 tp10 -120.29 -28.58 5.01 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.104 -0.997 . . . . 0.0 110.505 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.442 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.3 mp -118.02 23.61 11.53 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.356 -0.84 . . . . 0.0 108.8 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 41.5 t -70.25 -25.76 63.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.423 -0.798 . . . . 0.0 109.538 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -73.49 -42.94 61.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.375 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -69.91 -23.37 63.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.06 -29.33 3.45 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 109.648 -179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.05 -41.17 64.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.971 -1.08 . . . . 0.0 109.916 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.456 ' OE1' ' NE2' ' B' ' 90' ' ' HIS . 25.4 mt-10 -87.28 59.42 5.54 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.255 -0.903 . . . . 0.0 110.004 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -121.54 102.03 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.479 -0.763 . . . . 0.0 109.115 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.494 ' HZ3' ' CE1' ' B' ' 85' ' ' HIS . 29.9 mmtm -86.98 -40.76 14.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.128 -0.983 . . . . 0.0 109.37 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 7.9 mp0 -85.6 105.76 16.41 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.454 ' N ' ' OE1' ' B' ' 50' ' ' GLN . 24.9 mp0 -82.92 -28.38 29.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.049 -1.032 . . . . 0.0 109.526 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -73.67 -22.03 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.375 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.1 t -75.18 -50.36 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.651 -1.281 . . . . 0.0 108.186 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.3 -33.9 63.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.942 -1.099 . . . . 0.0 109.035 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.23 -42.69 91.62 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.551 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -70.21 -26.75 64.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.828 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.32 -55.61 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.67 -1.269 . . . . 0.0 108.372 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt -53.67 -25.23 17.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.384 -0.823 . . . . 0.0 110.216 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -85.77 -34.76 21.07 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.89 -1.131 . . . . 0.0 109.373 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 22.4 p -67.18 -48.87 66.64 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.673 -1.267 . . . . 0.0 108.131 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 49.0 mt -58.51 -56.64 19.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.549 -1.344 . . . . 0.0 108.221 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.72 -24.7 6.12 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.16 -0.962 . . . . 0.0 109.194 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -100.73 39.66 1.35 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.263 1.03 . . . . 0.0 109.559 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' B' ' 65' ' ' ASP . 35.2 t70 -45.29 -35.15 3.27 Favored 'General case' 0 C--N 1.275 -2.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.117 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.94 -9.23 0.01 OUTLIER Glycine 0 N--CA 1.494 2.528 0 O-C-N 122.057 -0.402 . . . . 0.0 112.846 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.571 ' N ' ' O ' ' B' ' 63' ' ' ASP . 2.7 p30 -106.08 -31.38 8.74 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.597 1.698 . . . . 0.0 112.356 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.477 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 104.43 -26.69 21.97 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 119.884 -1.76 . . . . 0.0 109.554 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 49.1 mt-10 -148.77 130.88 15.4 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.038 -1.272 . . . . 0.0 109.762 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.2 t -102.49 125.94 49.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.136 -0.977 . . . . 0.0 109.28 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 29.0 t70 -83.91 -174.68 5.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.224 -0.922 . . . . 0.0 109.759 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.479 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 28.9 t80 -76.36 -33.85 58.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.308 -0.87 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -59.03 -39.2 81.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.904 -1.122 . . . . 0.0 109.01 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.37 -23.25 61.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.148 -0.97 . . . . 0.0 109.506 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.562 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 23.6 t80 -77.57 -41.39 39.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.357 -0.839 . . . . 0.0 109.712 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.0 tpt -66.82 -27.24 67.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.207 -1.558 . . . . 0.0 108.77 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.4 9.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.296 -1.503 . . . . 0.0 110.264 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.3 -33.94 71.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.598 -1.314 . . . . 0.0 109.566 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.562 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.5 t -63.64 -33.53 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.109 -0.994 . . . . 0.0 108.971 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 52.2 p -70.32 -52.61 21.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.239 -0.913 . . . . 0.0 110.26 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 83.9 mtp -50.34 -38.51 42.4 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.211 -0.93 . . . . 0.0 110.868 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 40.7 t -73.52 -50.01 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.017 -1.052 . . . . 0.0 109.868 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -60.11 -41.65 93.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.859 -1.151 . . . . 0.0 108.767 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -73.06 -21.18 60.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.735 . . . . 0.0 109.817 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.53 -27.04 56.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.073 -1.017 . . . . 0.0 109.044 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.431 ' O ' ' O ' ' B' ' 85' ' ' HIS . 19.0 p -73.53 150.06 41.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.403 -0.811 . . . . 0.0 109.441 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.502 ' ND1' ' N ' ' B' ' 85' ' ' HIS . 0.5 OUTLIER -47.91 174.34 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.0 109.77 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -47.55 99.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.174 -0.954 . . . . 0.0 109.391 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.636 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 30.1 p90 -64.87 -24.49 67.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.114 -0.991 . . . . 0.0 109.568 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.636 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 24.0 m-85 -52.85 -42.06 64.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.027 . . . . 0.0 109.031 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' B' ' 91' ' ' GLU . 49.7 mt-10 -103.22 55.15 0.75 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.754 -0.591 . . . . 0.0 109.513 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.456 ' NE2' ' OE1' ' B' ' 46' ' ' GLU . 11.8 t-80 -66.99 67.57 0.07 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.197 -0.939 . . . . 0.0 109.314 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 89' ' ' GLU . 41.7 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.497 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.493 ' SD ' ' N ' ' A' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.8 p -61.09 165.95 3.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.239 -0.913 . . . . 0.0 109.302 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.32 -35.54 69.98 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.193 -0.942 . . . . 0.0 109.538 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.45 -54.54 45.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.851 . . . . 0.0 109.663 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -54.97 -47.38 74.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.244 -0.91 . . . . 0.0 109.31 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -48.52 -43.47 35.28 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.762 0.791 . . . . 0.0 109.686 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.15 -28.66 42.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.803 -0.561 . . . . 0.0 110.767 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -58.94 -41.72 88.06 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.501 -1.374 . . . . 0.0 108.326 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.3 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.473 -0.767 . . . . 0.0 109.717 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.2 69.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.254 -0.904 . . . . 0.0 110.13 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.97 -57.83 9.03 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.033 0.921 . . . . 0.0 109.899 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.496 ' CG2' ' CD1' ' B' ' 87' ' ' PHE . 63.0 mt -57.85 -39.16 69.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.085 -178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -69.51 -36.4 76.41 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.045 -1.034 . . . . 0.0 110.774 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.7 t -71.39 -34.97 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.396 -1.44 . . . . 0.0 109.459 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -60.25 -33.68 72.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.762 -1.211 . . . . 0.0 108.109 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.78 -30.38 61.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.497 -0.752 . . . . 0.0 109.646 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.93 -45.25 74.8 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.465 -0.772 . . . . 0.0 109.918 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -70.41 -43.02 70.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.062 -1.023 . . . . 0.0 109.238 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -96.95 61.06 1.78 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.05 -8.96 11.1 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.48 -31.95 73.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.546 -0.973 . . . . 0.0 109.328 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 23' ' ' ASP . 88.8 mt-10 -148.79 -45.14 0.15 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.604 -1.31 . . . . 0.0 110.172 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.3 12.26 0.3 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.1 t0 -47.93 -59.46 3.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -1.153 . . . . 0.0 108.634 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 21.0 pttm -90.25 177.63 6.37 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -122.84 47.34 1.98 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -134.64 147.61 50.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.749 -0.594 . . . . 0.0 109.995 -179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 tp -122.22 142.39 50.48 Favored 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.82 154.75 19.28 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.889 -1.132 . . . . 0.0 109.605 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.57 -40.14 86.37 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.069 -1.019 . . . . 0.0 109.961 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.8 p -57.08 -39.79 75.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.296 -0.878 . . . . 0.0 111.11 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.06 -33.84 29.73 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.757 -1.214 . . . . 0.0 108.867 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.0 tt -59.91 -46.46 89.3 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.79 -56.62 14.34 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.37 -1.456 . . . . 0.0 108.877 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.69 -35.95 15.05 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.384 -0.926 . . . . 0.0 109.229 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD11 ' OE2' ' A' ' 39' ' ' GLU . 17.0 tp -66.09 -39.88 90.34 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 109.524 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.92 -40.23 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 120.83 -1.169 . . . . 0.0 109.549 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.75 -25.28 66.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.427 -0.796 . . . . 0.0 112.278 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -113.66 -17.91 12.02 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.002 -1.062 . . . . 0.0 111.752 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' OE2' HD11 ' A' ' 35' ' ' LEU . 59.4 mt-10 -97.89 -22.43 16.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.683 -1.261 . . . . 0.0 110.936 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.88 29.14 7.71 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.155 -0.965 . . . . 0.0 109.571 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.93 -26.6 61.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.504 -0.747 . . . . 0.0 110.223 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -73.96 -52.15 13.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.979 -1.075 . . . . 0.0 110.129 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -63.97 -23.17 67.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.945 . . . . 0.0 109.533 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.539 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -48.77 -30.98 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.307 -0.871 . . . . 0.0 109.045 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -72.79 -39.21 66.89 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.101 -0.999 . . . . 0.0 109.115 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.42 58.27 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.394 -0.816 . . . . 0.0 109.645 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.7 mm -121.66 149.19 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.76 -50.71 0.5 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' GLU . 17.3 mt-10 -74.14 62.34 0.91 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.0 108.68 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.95 -24.9 0.16 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.404 -0.81 . . . . 0.0 110.338 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' GLU . 22.8 mt-10 -73.76 -22.64 59.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.107 -0.996 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.04 -50.28 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.613 -1.305 . . . . 0.0 107.93 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.56 -33.7 61.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.932 -1.105 . . . . 0.0 109.084 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -59.98 -44.6 94.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.61 -26.01 64.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.895 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.74 -56.52 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.825 -1.172 . . . . 0.0 108.175 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.32 15.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 110.211 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.62 -34.45 21.39 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.766 -1.209 . . . . 0.0 109.452 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.1 p -67.74 -47.0 70.52 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.687 -1.258 . . . . 0.0 108.236 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.3 mp -61.43 -56.83 15.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.633 -1.292 . . . . 0.0 108.285 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -52.17 -24.25 6.79 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.131 -0.981 . . . . 0.0 109.298 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.4 41.52 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 122.343 1.068 . . . . 0.0 109.014 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 65' ' ' ASP . 25.9 t70 -43.99 -34.73 1.8 Allowed 'General case' 0 C--N 1.275 -2.672 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.786 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.88 -12.45 0.01 OUTLIER Glycine 0 N--CA 1.498 2.793 0 O-C-N 121.987 -0.446 . . . . 0.0 112.545 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.563 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.2 p30 -104.58 -31.21 9.53 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 119.584 1.692 . . . . 0.0 111.915 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 105.27 -25.57 24.5 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.974 -1.704 . . . . 0.0 109.339 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.41 129.44 15.44 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.15 -1.206 . . . . 0.0 109.798 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 49.0 m -101.64 125.07 48.23 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.99 -1.069 . . . . 0.0 109.192 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 30.6 t70 -83.2 -174.66 5.42 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.233 -0.917 . . . . 0.0 109.875 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.462 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.3 t80 -74.9 -33.73 62.07 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.323 -0.861 . . . . 0.0 108.915 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.31 -37.62 81.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.094 . . . . 0.0 109.103 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.62 -25.93 61.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.075 -1.016 . . . . 0.0 109.878 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.499 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.9 t80 -74.86 -41.53 59.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.349 -0.845 . . . . 0.0 109.801 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -64.46 -48.49 75.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.045 -1.659 . . . . 0.0 108.061 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.0 63.78 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.422 -1.424 . . . . 0.0 110.996 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CD1' HD11 ' A' ' 60' ' ' LEU . 25.8 m-85 -70.17 -32.04 69.81 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.413 -1.43 . . . . 0.0 109.757 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 54.9 t -65.14 -34.28 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.143 -0.973 . . . . 0.0 109.206 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 79' ' ' MET . 6.2 p -71.31 -53.9 12.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.054 -1.029 . . . . 0.0 109.96 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.416 ' N ' ' OG ' ' A' ' 78' ' ' SER . 9.7 mtt -50.57 -39.4 49.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.228 -0.92 . . . . 0.0 110.675 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.18 -49.49 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.757 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.496 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 34.4 m -62.45 -41.51 98.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.146 -0.971 . . . . 0.0 108.905 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -67.71 -21.07 65.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.342 -0.849 . . . . 0.0 109.387 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.2 63.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 109.149 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 81' ' ' THR . 14.0 p -71.6 152.85 42.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 109.431 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 5.7 m80 -43.63 156.84 0.05 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.403 -0.811 . . . . 0.0 110.108 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -50.38 103.05 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.133 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.622 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 42.1 p90 -61.09 -23.63 65.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 110.063 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CE1' ' CZ ' ' A' ' 87' ' ' PHE . 56.8 m-85 -50.99 -40.7 58.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.953 -1.092 . . . . 0.0 109.303 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 16.9 mp0 -100.34 57.43 0.94 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.383 -0.823 . . . . 0.0 109.547 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.449 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 0.9 OUTLIER -60.02 90.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.921 . . . . 0.0 109.265 179.639 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.457 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.53 ' SD ' ' N ' ' B' ' 0' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.0 p -61.15 166.0 3.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.29 -35.56 69.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.543 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.47 -54.45 46.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 0.0 109.724 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -54.95 -47.47 74.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.192 -0.943 . . . . 0.0 109.261 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -48.46 -43.45 34.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.791 0.805 . . . . 0.0 109.713 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.18 -28.7 42.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.821 -0.549 . . . . 0.0 110.761 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -58.89 -41.77 87.95 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.547 -1.346 . . . . 0.0 108.304 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.4 -33.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.715 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.53 -51.15 69.77 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.239 -0.913 . . . . 0.0 110.178 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.99 -57.78 9.19 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.993 0.901 . . . . 0.0 109.915 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.49 ' CG2' ' CD1' ' A' ' 87' ' ' PHE . 63.1 mt -57.91 -39.11 69.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.087 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -69.58 -36.38 76.22 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.018 -1.051 . . . . 0.0 110.746 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.38 -35.03 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 120.41 -1.432 . . . . 0.0 109.448 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -60.16 -33.71 72.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.721 -1.237 . . . . 0.0 108.135 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -74.73 -30.46 61.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.0 109.694 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -54.86 -45.32 74.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.54 -0.725 . . . . 0.0 109.926 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.41 -42.99 70.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.031 -1.043 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -96.98 61.11 1.77 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.329 -0.857 . . . . 0.0 110.323 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.07 -8.96 11.07 Favored Glycine 0 N--CA 1.501 2.988 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -66.45 -31.95 73.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.511 -0.993 . . . . 0.0 109.341 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' B' ' 23' ' ' ASP . 88.8 mt-10 -148.82 -45.13 0.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.544 -1.347 . . . . 0.0 110.111 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.27 12.27 0.29 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.1 t0 -47.9 -59.49 3.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.19 -1.182 . . . . 0.0 108.613 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -90.15 177.66 6.38 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 9.2 p80 -122.84 47.2 2.0 Allowed 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -134.55 147.58 50.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.737 -0.602 . . . . 0.0 110.034 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 tp -122.21 142.4 50.47 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.86 154.76 19.26 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.936 -1.103 . . . . 0.0 109.584 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -59.57 -40.13 86.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.094 -1.004 . . . . 0.0 109.938 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.0 p -57.08 -39.85 75.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.895 . . . . 0.0 111.046 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -82.01 -33.84 29.87 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.779 -1.201 . . . . 0.0 108.866 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.619 ' O ' HD23 ' B' ' 32' ' ' LEU . 4.0 tt -59.9 -46.5 89.15 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -52.76 -56.64 14.2 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.366 -1.459 . . . . 0.0 108.912 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -48.63 -36.03 14.96 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.207 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.406 HD11 ' OE2' ' B' ' 39' ' ' GLU . 16.9 tp -65.97 -39.96 90.84 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.952 -1.093 . . . . 0.0 109.602 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -62.81 -40.3 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.795 -1.191 . . . . 0.0 109.569 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.73 -25.32 66.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.505 -0.747 . . . . 0.0 112.278 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.65 -17.91 12.02 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.958 -1.089 . . . . 0.0 111.734 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.406 ' OE2' HD11 ' B' ' 35' ' ' LEU . 59.6 mt-10 -97.83 -22.53 16.32 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.732 -1.23 . . . . 0.0 110.978 -178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.78 29.14 7.72 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.132 -0.98 . . . . 0.0 109.534 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -72.94 -26.64 61.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.476 -0.765 . . . . 0.0 110.169 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -74.01 -52.07 13.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.933 -1.104 . . . . 0.0 110.138 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -64.0 -23.26 67.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.513 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.525 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.73 -30.97 6.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.266 -0.896 . . . . 0.0 109.062 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.77 -39.24 66.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.134 -0.979 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.29 58.21 4.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.411 -0.805 . . . . 0.0 109.646 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm -121.7 149.22 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -139.79 -50.66 0.49 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.347 -0.846 . . . . 0.0 109.022 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' B' ' 51' ' ' GLU . 17.3 mt-10 -74.13 62.26 0.9 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.247 -0.908 . . . . 0.0 108.67 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -43.98 -24.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.429 -0.794 . . . . 0.0 110.33 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 49' ' ' GLU . 22.8 mt-10 -73.77 -22.63 59.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.117 -0.989 . . . . 0.0 110.078 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.11 -50.25 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.705 -1.247 . . . . 0.0 107.904 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.53 -33.7 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.907 -1.121 . . . . 0.0 109.125 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -60.01 -44.56 94.5 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.58 -26.03 64.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.77 -56.55 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.847 -1.158 . . . . 0.0 108.106 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.47 -25.38 16.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 110.137 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -85.53 -34.48 21.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.802 -1.186 . . . . 0.0 109.505 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.0 p -67.76 -46.96 70.57 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.709 -1.244 . . . . 0.0 108.27 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.412 HD12 ' N ' ' B' ' 60' ' ' LEU . 9.3 mp -61.47 -56.78 16.4 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.602 -1.311 . . . . 0.0 108.257 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.21 -24.12 6.7 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -0.979 . . . . 0.0 109.314 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -101.41 41.44 1.2 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 122.403 1.097 . . . . 0.0 109.348 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.57 ' C ' ' H ' ' B' ' 65' ' ' ASP . 25.5 t70 -43.95 -34.67 1.75 Allowed 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.79 -12.66 0.01 OUTLIER Glycine 0 N--CA 1.495 2.569 0 O-C-N 121.976 -0.453 . . . . 0.0 112.659 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.2 p30 -104.46 -31.24 9.57 Favored 'General case' 0 N--CA 1.513 2.688 0 CA-C-N 119.523 1.661 . . . . 0.0 111.936 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.52 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 105.39 -25.61 24.2 Favored Glycine 0 N--CA 1.499 2.89 0 O-C-N 119.878 -1.764 . . . . 0.0 109.311 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -147.38 129.41 15.45 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.055 -1.262 . . . . 0.0 109.767 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 49.6 m -101.65 125.06 48.24 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.97 -1.081 . . . . 0.0 109.185 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 30.7 t70 -83.25 -174.72 5.45 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.197 -0.939 . . . . 0.0 109.887 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.465 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.5 t80 -74.84 -33.83 62.21 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -0.854 . . . . 0.0 108.847 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.27 -37.67 81.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.932 -1.105 . . . . 0.0 109.07 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.6 -25.82 61.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.147 -0.971 . . . . 0.0 109.944 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.9 t80 -74.85 -41.54 59.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.33 -0.857 . . . . 0.0 109.837 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -64.49 -48.5 74.94 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.105 -1.622 . . . . 0.0 108.036 179.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.12 -42.97 63.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.394 -1.441 . . . . 0.0 111.007 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.408 ' CG ' HD11 ' B' ' 60' ' ' LEU . 25.7 m-85 -70.18 -32.09 69.86 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.347 -1.471 . . . . 0.0 109.72 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 54.8 t -65.14 -34.28 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.081 -1.012 . . . . 0.0 109.193 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' B' ' 79' ' ' MET . 6.1 p -71.25 -53.96 12.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.088 -1.008 . . . . 0.0 109.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.419 ' N ' ' OG ' ' B' ' 78' ' ' SER . 9.7 mtt -50.48 -39.47 48.34 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.203 -0.936 . . . . 0.0 110.673 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.4 t -74.13 -49.58 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.069 -1.019 . . . . 0.0 109.759 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.435 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 33.7 m -62.39 -41.53 98.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.163 -0.96 . . . . 0.0 108.897 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 17.6 p -67.74 -20.99 65.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 109.403 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.28 -20.15 63.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.142 -0.974 . . . . 0.0 109.176 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' B' ' 81' ' ' THR . 14.0 p -71.51 152.82 42.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.368 -0.832 . . . . 0.0 109.475 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' B' ' 85' ' ' HIS . 5.7 m80 -43.6 156.81 0.05 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.458 -0.776 . . . . 0.0 110.1 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 1.0 OUTLIER -50.32 103.05 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 109.139 179.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' B' ' 88' ' ' PHE . 42.2 p90 -61.03 -23.65 65.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 110.033 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CE1' ' CZ ' ' B' ' 87' ' ' PHE . 56.8 m-85 -51.08 -40.57 58.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.939 -1.1 . . . . 0.0 109.346 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.414 ' CD ' ' N ' ' B' ' 89' ' ' GLU . 16.9 mp0 -100.38 57.4 0.94 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.431 -0.793 . . . . 0.0 109.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.446 ' ND1' ' C ' ' B' ' 90' ' ' HIS . 0.9 OUTLIER -59.97 90.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.286 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.472 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 169.75 6.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.16 -0.962 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 6.1 mp0 -57.48 -35.46 70.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.112 -0.992 . . . . 0.0 109.423 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.2 tt -60.45 -52.29 65.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.401 -0.812 . . . . 0.0 109.745 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' OE1' ' CG ' ' B' ' 42' ' ' HIS . 28.8 mt-10 -49.89 -45.61 50.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.086 -1.009 . . . . 0.0 109.634 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -48.67 -44.39 37.65 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.729 0.776 . . . . 0.0 109.686 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.23 -28.74 47.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.734 -0.604 . . . . 0.0 110.837 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -61.57 -46.72 88.7 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.598 -1.314 . . . . 0.0 108.534 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.14 -35.06 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.577 -0.702 . . . . 0.0 110.217 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -49.72 76.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.01 -1.056 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.29 16.53 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.949 0.881 . . . . 0.0 109.642 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 92.5 mt -56.07 -38.72 54.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.663 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -70.13 -36.58 74.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.711 -1.243 . . . . 0.0 110.928 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.0 t -70.11 -35.52 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 120.297 -1.502 . . . . 0.0 109.208 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -61.81 -31.67 71.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.6 -1.313 . . . . 0.0 107.708 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 11' ' ' ILE . 21.6 m170 -72.83 -36.02 67.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.605 -0.685 . . . . 0.0 109.959 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.404 -0.81 . . . . 0.0 110.34 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.77 -43.61 62.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.881 -1.137 . . . . 0.0 109.253 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.88 60.99 1.52 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.235 -0.916 . . . . 0.0 110.132 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.88 -7.84 11.31 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 107.448 -2.261 . . . . 0.0 107.448 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.44 -33.62 76.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.613 -0.933 . . . . 0.0 109.01 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.3 mt-10 -147.65 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.622 -1.298 . . . . 0.0 110.177 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.88 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 21' ' ' GLU . 31.0 t70 -49.92 -58.53 5.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -1.233 . . . . 0.0 108.26 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.9 169.6 11.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.458 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 51.2 p-80 -118.04 47.82 1.51 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -132.51 146.41 51.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.781 -0.574 . . . . 0.0 110.095 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -123.45 143.07 50.38 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -91.89 155.01 18.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.873 -1.142 . . . . 0.0 109.824 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -58.64 -39.98 82.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 0.0 109.961 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -57.74 -39.86 78.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.407 -0.808 . . . . 0.0 111.344 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -81.19 -39.05 26.05 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.826 -1.171 . . . . 0.0 109.03 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.9 tt -56.0 -46.1 78.83 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.61 20.45 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.406 -1.434 . . . . 0.0 109.098 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.92 -35.2 10.22 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.713 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.09 -41.58 81.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.799 -1.188 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -56.04 -35.47 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.636 -1.29 . . . . 0.0 109.458 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.38 -45.75 82.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.438 -0.789 . . . . 0.0 111.568 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.79 -16.86 22.64 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.943 -1.098 . . . . 0.0 111.357 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 40' ' ' LEU . 65.9 mm-40 -96.86 -28.12 14.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.802 -1.186 . . . . 0.0 110.836 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 39' ' ' GLU . 6.8 mp -118.74 32.88 5.9 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.17 -40.46 71.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CG ' ' OE1' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -68.91 -50.63 47.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.01 -1.056 . . . . 0.0 109.994 -179.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -56.69 -30.13 63.1 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.192 -0.943 . . . . 0.0 109.449 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.19 -22.38 0.99 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.435 -0.791 . . . . 0.0 109.839 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.92 -41.38 23.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.999 -1.063 . . . . 0.0 110.054 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.59 58.39 3.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 0.0 109.983 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 48' ' ' LYS . 44.8 mm -119.42 157.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.527 -0.733 . . . . 0.0 109.029 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' N ' HG22 ' A' ' 47' ' ' ILE . 4.1 ttmp? -145.56 -51.59 0.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.138 -0.976 . . . . 0.0 108.986 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.31 65.98 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.22 -0.925 . . . . 0.0 108.684 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.84 -22.8 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.34 -0.85 . . . . 0.0 110.863 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -73.44 -22.13 60.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.865 -1.147 . . . . 0.0 110.197 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.43 -51.11 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.288 . . . . 0.0 107.798 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.49 -32.73 56.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.972 -1.08 . . . . 0.0 108.73 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.86 -47.29 87.05 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.414 -0.804 . . . . 0.0 109.843 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.81 -27.16 68.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.146 -0.971 . . . . 0.0 109.862 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.07 -55.54 21.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.704 -1.248 . . . . 0.0 108.153 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.67 -28.27 32.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 0.0 110.533 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.16 -34.24 20.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.772 -1.205 . . . . 0.0 109.508 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.86 -43.58 75.1 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.779 -1.201 . . . . 0.0 108.228 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.72 -57.37 12.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.73 -1.231 . . . . 0.0 108.317 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.61 -22.07 1.85 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.192 -0.943 . . . . 0.0 109.076 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.44 40.32 1.37 Allowed 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 122.145 0.974 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 19.1 t70 -44.65 -37.68 3.82 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-O 121.6 0.714 . . . . 0.0 109.889 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.05 -7.15 0.01 OUTLIER Glycine 0 N--CA 1.493 2.454 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.536 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 43.6 m-20 -109.11 -8.99 15.07 Favored 'General case' 0 N--CA 1.512 2.656 0 CA-C-N 119.13 1.465 . . . . 0.0 112.476 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 63' ' ' ASP . . . 79.33 -29.07 2.25 Favored Glycine 0 N--CA 1.493 2.485 0 O-C-N 119.622 -1.924 . . . . 0.0 110.691 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -145.8 130.01 17.58 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.02 -1.283 . . . . 0.0 110.048 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.478 ' SG ' ' OD1' ' A' ' 63' ' ' ASP . 74.5 m -103.53 125.0 49.82 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.188 -0.945 . . . . 0.0 108.809 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -81.28 -175.18 5.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 109.971 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.06 -35.07 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -55.01 -35.95 64.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.997 -1.064 . . . . 0.0 108.471 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.53 -24.48 61.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.68 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 77' ' ' VAL . 72.9 t80 -75.26 -41.84 56.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.99 -53.96 26.36 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.245 -1.535 . . . . 0.0 108.404 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.75 -46.94 67.72 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.368 -1.458 . . . . 0.0 110.992 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.45 -33.86 76.01 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.565 -1.335 . . . . 0.0 109.447 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' PHE . 22.6 t -66.02 -33.24 62.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.118 -0.989 . . . . 0.0 108.619 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 t -71.17 -54.39 11.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.202 -0.936 . . . . 0.0 110.148 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 71.0 mtp -50.21 -39.4 44.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 110.876 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.62 -55.84 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.994 -1.066 . . . . 0.0 109.871 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.1 -40.21 73.35 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.921 -1.112 . . . . 0.0 108.594 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 38.7 p -73.92 -20.9 60.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.0 109.562 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.62 -26.31 43.4 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.066 -1.021 . . . . 0.0 108.953 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 24.5 t -72.29 150.29 43.71 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.361 -0.837 . . . . 0.0 109.103 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 78.4 t60 -45.55 167.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.309 -0.87 . . . . 0.0 109.859 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 97.6 mt-10 -47.1 106.59 0.09 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.227 -0.92 . . . . 0.0 109.592 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.545 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 37.7 p90 -65.58 -23.12 66.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.346 -0.846 . . . . 0.0 109.523 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 60.3 m-85 -50.01 -40.96 46.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 109.173 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -100.52 56.49 0.9 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.608 -0.682 . . . . 0.0 109.231 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -67.2 102.24 1.02 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 109.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.421 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 51.8 p -65.83 169.69 6.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.124 -0.985 . . . . 0.0 109.3 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.596 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 6.1 mp0 -57.43 -35.45 70.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.185 -0.947 . . . . 0.0 109.451 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.448 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.2 tt -60.48 -52.24 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.409 -0.807 . . . . 0.0 109.759 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.428 ' OE1' ' CG ' ' A' ' 42' ' ' HIS . 28.9 mt-10 -49.94 -45.64 51.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.08 -1.012 . . . . 0.0 109.577 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -48.67 -44.35 37.63 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 121.736 0.779 . . . . 0.0 109.706 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.26 -28.66 47.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.736 -0.603 . . . . 0.0 110.888 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -61.65 -46.7 88.65 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.551 -1.343 . . . . 0.0 108.479 179.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.22 -34.97 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.49 -0.756 . . . . 0.0 110.177 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.78 76.39 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.064 -1.023 . . . . 0.0 109.371 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.44 -55.25 16.65 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.915 0.864 . . . . 0.0 109.644 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 92.5 mt -56.04 -38.75 54.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.639 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -70.18 -36.59 74.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.756 -1.215 . . . . 0.0 110.87 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.09 -35.5 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 120.337 -1.477 . . . . 0.0 109.254 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.8 -31.68 71.92 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.637 -1.289 . . . . 0.0 107.716 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 11' ' ' ILE . 21.7 m170 -72.82 -36.02 67.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.665 -0.647 . . . . 0.0 109.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -53.83 -44.9 70.64 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.397 -0.814 . . . . 0.0 110.322 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -72.75 -43.56 62.74 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.004 -1.06 . . . . 0.0 109.307 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 14.7 m -97.9 60.94 1.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.278 -0.888 . . . . 0.0 110.129 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -117.9 -7.77 11.35 Favored Glycine 0 N--CA 1.5 2.958 0 N-CA-C 107.468 -2.253 . . . . 0.0 107.468 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -66.49 -33.54 75.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.568 -0.96 . . . . 0.0 109.0 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -147.71 -44.54 0.17 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.674 -1.266 . . . . 0.0 110.18 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.9 10.19 0.25 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' B' ' 21' ' ' GLU . 31.0 t70 -49.96 -58.45 5.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.058 -1.26 . . . . 0.0 108.304 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -89.95 169.58 11.1 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.456 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 51.2 p-80 -118.03 47.88 1.5 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -132.55 146.44 51.91 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.728 -0.607 . . . . 0.0 110.081 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -123.53 143.1 50.4 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -91.88 155.0 18.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.9 -1.125 . . . . 0.0 109.837 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -58.66 -39.94 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.977 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.1 t -57.79 -39.86 78.49 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.438 -0.789 . . . . 0.0 111.325 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -81.14 -39.03 26.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.757 -1.214 . . . . 0.0 109.082 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.634 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.9 tt -55.97 -46.13 78.72 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -52.37 -55.68 19.96 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.484 -1.385 . . . . 0.0 109.093 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.82 -35.24 9.85 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.714 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 mt -68.05 -41.6 81.78 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.742 -1.224 . . . . 0.0 109.451 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.17 -35.35 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 120.675 -1.265 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.46 -45.7 82.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 111.572 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.81 -16.86 22.62 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.877 -1.14 . . . . 0.0 111.369 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.537 ' O ' HD12 ' B' ' 40' ' ' LEU . 65.9 mm-40 -96.86 -28.13 14.37 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.801 -1.187 . . . . 0.0 110.844 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD12 ' O ' ' B' ' 39' ' ' GLU . 6.8 mp -118.74 32.87 5.91 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.353 -0.842 . . . . 0.0 109.034 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -71.2 -40.53 71.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.255 -0.903 . . . . 0.0 110.016 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.413 ' CG ' ' OE1' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.89 -50.61 48.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.912 -1.118 . . . . 0.0 109.973 -179.476 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.72 -30.1 63.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.141 -0.974 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.477 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.22 -22.36 1.0 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.384 -0.823 . . . . 0.0 109.794 -179.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -80.97 -41.27 23.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.999 -1.063 . . . . 0.0 110.106 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -81.63 58.41 3.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.213 -0.929 . . . . 0.0 109.974 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.421 HG22 ' N ' ' B' ' 48' ' ' LYS . 44.8 mm -119.42 157.91 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.495 -0.753 . . . . 0.0 108.98 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.421 ' N ' HG22 ' B' ' 47' ' ' ILE . 4.1 ttmp? -145.56 -51.52 0.25 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.2 -0.938 . . . . 0.0 109.022 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.35 66.0 5.7 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.899 . . . . 0.0 108.666 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -44.85 -22.84 0.1 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.366 -0.833 . . . . 0.0 110.823 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -73.41 -22.13 60.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.914 -1.116 . . . . 0.0 110.184 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 43.4 t -75.44 -51.09 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.636 -1.29 . . . . 0.0 107.845 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.45 -32.8 56.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.005 -1.059 . . . . 0.0 108.753 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.81 -47.28 87.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -65.86 -27.2 68.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.04 -55.61 21.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.698 -1.251 . . . . 0.0 108.108 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.58 -28.35 31.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 110.522 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -86.21 -34.12 20.57 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.771 -1.206 . . . . 0.0 109.539 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -68.88 -43.59 75.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 108.252 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.82 -57.26 13.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.67 -1.268 . . . . 0.0 108.302 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -50.68 -21.99 1.85 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.116 -0.99 . . . . 0.0 109.061 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.43 40.35 1.37 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-O 122.206 1.003 . . . . 0.0 109.489 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.594 ' C ' ' H ' ' B' ' 65' ' ' ASP . 18.7 t70 -44.49 -37.82 3.73 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.4 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.98 -7.31 0.01 OUTLIER Glycine 0 N--CA 1.489 2.222 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.648 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.594 ' H ' ' C ' ' B' ' 63' ' ' ASP . 43.9 m-20 -109.11 -8.92 15.08 Favored 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 119.009 1.405 . . . . 0.0 112.497 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' B' ' 63' ' ' ASP . . . 79.41 -29.21 2.27 Favored Glycine 0 N--CA 1.492 2.417 0 O-C-N 119.551 -1.968 . . . . 0.0 110.699 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -145.72 129.98 17.63 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.04 -1.271 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.488 ' SG ' ' OD1' ' B' ' 63' ' ' ASP . 74.7 m -103.54 125.04 49.84 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.178 -0.951 . . . . 0.0 108.786 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -81.33 -175.12 5.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.116 -0.99 . . . . 0.0 109.933 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.12 -35.06 64.09 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -55.02 -35.95 64.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.994 -1.067 . . . . 0.0 108.478 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.51 -24.43 61.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 109.722 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.502 ' O ' HG23 ' B' ' 77' ' ' VAL . 72.8 t80 -75.24 -41.95 56.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.287 -0.883 . . . . 0.0 109.287 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.7 tpt -66.78 -54.05 26.65 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.308 -1.495 . . . . 0.0 108.443 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.74 -46.93 67.67 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.386 -1.446 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.5 -33.79 75.83 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.591 -1.318 . . . . 0.0 109.466 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 73' ' ' PHE . 22.5 t -66.1 -33.2 61.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.096 -1.002 . . . . 0.0 108.6 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -71.17 -54.42 11.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.923 . . . . 0.0 110.129 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 71.1 mtp -50.24 -39.39 44.57 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.246 -0.908 . . . . 0.0 110.839 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.56 -55.84 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.035 -1.041 . . . . 0.0 109.91 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -56.08 -40.27 73.35 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.862 -1.149 . . . . 0.0 108.632 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 38.7 p -73.89 -20.88 60.27 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 109.592 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.29 43.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 108.996 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' B' ' 85' ' ' HIS . 24.7 t -72.26 150.34 43.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.444 -0.785 . . . . 0.0 109.071 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.491 ' CG ' ' N ' ' B' ' 86' ' ' GLU . 78.4 t60 -45.57 167.52 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.287 -0.883 . . . . 0.0 109.831 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.491 ' N ' ' CG ' ' B' ' 85' ' ' HIS . 97.6 mt-10 -47.06 106.54 0.09 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.537 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 37.9 p90 -65.54 -23.1 66.79 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.364 -0.835 . . . . 0.0 109.588 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.537 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 60.2 m-85 -50.01 -40.95 46.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.084 -1.01 . . . . 0.0 109.215 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -100.47 56.44 0.91 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.617 -0.677 . . . . 0.0 109.231 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -67.24 102.25 1.03 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.415 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.627 ' H2 ' ' CE1' ' B' ' 42' ' ' HIS . 8.9 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p -78.08 171.52 14.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.71 -38.51 81.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.007 -1.058 . . . . 0.0 109.314 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -60.73 -49.07 78.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.333 -0.854 . . . . 0.0 109.063 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' OE1' ' CE1' ' B' ' 42' ' ' HIS . 75.4 tt0 -51.1 -47.11 61.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.598 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.7 -44.81 58.14 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.849 0.833 . . . . 0.0 109.844 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.752 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.75 -29.94 56.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.797 -0.564 . . . . 0.0 111.325 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -46.12 86.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.589 -1.319 . . . . 0.0 108.627 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.53 -34.56 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.464 -0.772 . . . . 0.0 110.241 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -50.26 74.64 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.059 -1.026 . . . . 0.0 109.597 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.41 -54.99 28.85 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.96 0.886 . . . . 0.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.69 -39.45 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.898 -0.501 . . . . 0.0 110.753 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.44 -35.49 70.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.84 -1.163 . . . . 0.0 110.686 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.53 -42.7 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.56 -1.338 . . . . 0.0 109.597 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.09 -33.82 63.13 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.616 -1.303 . . . . 0.0 108.505 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.53 -29.6 59.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.699 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -55.23 -45.12 75.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 110.035 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -71.63 -47.61 53.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.004 -1.06 . . . . 0.0 109.41 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 m -98.42 61.03 1.39 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.365 -0.834 . . . . 0.0 110.135 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.45 -12.92 5.96 Favored Glycine 0 N--CA 1.501 2.996 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.46 -30.57 70.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -1.161 . . . . 0.0 109.081 178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASP . 41.1 tt0 -148.16 -45.23 0.16 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.675 -1.266 . . . . 0.0 109.635 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.95 24.12 0.25 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.954 -1.321 . . . . 0.0 108.289 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.69 174.39 7.76 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -120.86 50.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.17 145.04 51.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.802 -0.561 . . . . 0.0 109.65 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' CYS . 15.3 tp -118.8 141.7 48.39 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.53 16.8 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.089 -1.007 . . . . 0.0 109.758 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.26 -39.23 86.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.421 -0.799 . . . . 0.0 110.179 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -59.45 -41.86 90.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.0 110.75 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.08 -42.11 33.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 109.099 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 tp -55.61 -42.46 74.9 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.93 -56.96 12.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 120.895 -1.128 . . . . 0.0 108.792 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -48.3 -35.63 12.65 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.35 -0.94 . . . . 0.0 108.941 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -65.98 -47.95 72.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.1 -1.0 . . . . 0.0 108.743 179.179 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -52.62 -38.87 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.285 . . . . 0.0 109.481 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -61.87 -26.03 67.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 110.718 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -121.0 -2.83 9.66 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.411 -0.806 . . . . 0.0 110.493 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 35' ' ' LEU . 21.9 tt0 -98.85 -32.26 11.44 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.96 -1.087 . . . . 0.0 110.82 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.23 34.64 4.81 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.281 -0.887 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.8 p -70.57 -24.88 62.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 0.0 109.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.591 ' CE1' ' H1 ' ' B' ' 0' ' ' MET . 55.8 m-70 -74.0 -42.9 59.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 0.0 110.244 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.65 -22.39 50.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.967 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -48.26 -27.34 2.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.318 -179.415 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.25 -39.12 41.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 110.205 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -87.0 59.63 5.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.196 -0.94 . . . . 0.0 110.521 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.76 107.42 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.47 -0.769 . . . . 0.0 108.938 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -83.36 -57.16 3.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.053 -1.03 . . . . 0.0 108.787 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -75.5 113.9 13.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.364 -0.835 . . . . 0.0 109.076 179.324 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -88.88 -23.68 22.69 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.056 -1.028 . . . . 0.0 109.776 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.77 -24.84 58.75 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.267 -0.896 . . . . 0.0 111.324 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 53' ' ' VAL . 28.2 m -74.73 -43.4 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 120.452 -1.405 . . . . 0.0 108.377 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.497 ' N ' HG23 ' A' ' 52' ' ' VAL . 83.2 t -67.97 -34.08 64.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 120.651 -1.28 . . . . 0.0 108.658 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -57.34 -43.0 83.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.16 -27.09 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.154 -0.966 . . . . 0.0 109.884 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.27 -55.43 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.539 -1.351 . . . . 0.0 107.677 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -53.0 -28.62 24.83 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.447 -0.783 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.65 -38.84 14.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.059 -1.025 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.09 -39.73 78.84 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.6 tp -69.17 -57.08 5.85 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.784 -1.197 . . . . 0.0 108.026 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -50.94 -18.25 0.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.084 -1.01 . . . . 0.0 109.135 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' LEU . 87.6 mt-10 -100.24 40.99 1.2 Allowed 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.308 1.052 . . . . 0.0 109.067 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 65' ' ' ASP . 18.2 p-10 -45.01 -34.04 2.3 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.494 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.46 -6.14 0.01 OUTLIER Glycine 0 N--CA 1.499 2.844 0 O-C-N 121.974 -0.454 . . . . 0.0 112.111 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . 54.0 t0 -104.39 -31.45 9.51 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 119.164 1.482 . . . . 0.0 111.926 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.24 -27.81 18.42 Favored Glycine 0 N--CA 1.499 2.85 0 O-C-N 119.873 -1.767 . . . . 0.0 109.049 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.59 130.6 15.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.213 -1.169 . . . . 0.0 109.769 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 27' ' ' LEU . 11.4 m -104.0 126.76 51.37 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.171 -0.955 . . . . 0.0 109.45 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 23.8 t70 -81.15 -172.3 3.69 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.265 -0.897 . . . . 0.0 109.919 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.46 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 26.4 t80 -74.3 -28.88 61.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.336 -0.853 . . . . 0.0 108.762 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -63.83 -36.11 82.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.862 -1.149 . . . . 0.0 108.477 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -71.98 -24.91 61.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.237 -0.914 . . . . 0.0 109.689 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -73.21 -41.82 63.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.87 -51.8 55.71 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.292 -1.505 . . . . 0.0 108.416 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.27 46.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.306 -1.496 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -59.92 -36.89 77.98 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.885 -1.134 . . . . 0.0 109.223 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 73' ' ' PHE . 41.5 t -69.85 -34.0 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 0.0 108.975 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.71 42.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.411 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.62 -36.53 35.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.975 -1.078 . . . . 0.0 110.487 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.84 -47.92 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.774 -1.204 . . . . 0.0 109.409 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.23 -36.87 74.82 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 108.841 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 m -69.25 -26.63 64.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 109.825 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 85' ' ' HIS . . . -56.71 -37.68 71.28 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' A' ' 85' ' ' HIS . 11.2 m -74.22 41.27 0.13 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.499 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 22.9 t60 -48.67 176.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.581 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.499 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 38.6 tt0 56.92 19.22 4.38 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.212 -0.93 . . . . 0.0 108.93 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 32.7 p90 -63.34 -24.5 67.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.282 -0.886 . . . . 0.0 109.477 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.623 ' CE1' ' CE1' ' A' ' 87' ' ' PHE . 13.0 m-85 -49.56 -31.04 9.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.981 . . . . 0.0 108.901 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -91.2 55.28 2.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.453 -0.779 . . . . 0.0 108.969 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -64.69 135.65 56.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.327 -0.858 . . . . 0.0 109.467 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.307 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.591 ' H1 ' ' CE1' ' A' ' 42' ' ' HIS . 8.9 ptt? . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.217 0.532 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 96.9 p -78.0 171.49 14.93 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.153 -0.967 . . . . 0.0 109.166 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.73 -38.42 81.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.051 -1.03 . . . . 0.0 109.313 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.487 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.1 tt -60.83 -49.01 79.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.853 . . . . 0.0 109.027 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.53 ' OE1' ' CD2' ' A' ' 42' ' ' HIS . 75.6 tt0 -51.14 -47.16 62.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.24 -0.912 . . . . 0.0 109.617 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.63 -44.8 57.45 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.813 0.816 . . . . 0.0 109.829 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.752 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.83 -29.86 56.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.838 -0.539 . . . . 0.0 111.344 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -46.12 86.86 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.623 -1.298 . . . . 0.0 108.657 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.54 -34.52 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.534 -0.728 . . . . 0.0 110.228 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.83 -50.19 74.91 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.085 -1.009 . . . . 0.0 109.61 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 22.4 mt -53.52 -54.96 29.77 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.902 0.858 . . . . 0.0 110.543 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -54.7 -39.43 47.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.884 -0.51 . . . . 0.0 110.803 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -71.41 -35.54 71.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.867 -1.146 . . . . 0.0 110.75 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 77.8 t -69.47 -42.76 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 120.524 -1.36 . . . . 0.0 109.59 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -55.03 -33.87 63.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.613 -1.304 . . . . 0.0 108.531 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -75.55 -29.6 59.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 109.683 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -55.15 -45.16 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.084 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -71.7 -47.48 53.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.015 -1.053 . . . . 0.0 109.38 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -98.54 61.09 1.36 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.374 -0.829 . . . . 0.0 110.051 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.48 -12.88 5.96 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 44.8 ttt85 -66.55 -30.49 70.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -1.15 . . . . 0.0 109.055 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 23' ' ' ASP . 40.9 tt0 -148.13 -45.34 0.16 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.648 -1.283 . . . . 0.0 109.649 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 43.06 24.09 0.26 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' B' ' 21' ' ' GLU . 4.6 t70 -48.21 -60.62 2.5 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.934 -1.333 . . . . 0.0 108.306 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -89.67 174.45 7.73 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -120.83 50.57 1.33 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -132.15 145.04 51.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.802 -0.561 . . . . 0.0 109.599 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 27' ' ' LEU . 15.3 tp -118.78 141.69 48.4 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -94.73 155.54 16.79 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.076 -1.015 . . . . 0.0 109.764 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -60.24 -39.27 86.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.4 -0.813 . . . . 0.0 110.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -59.5 -41.84 90.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.0 110.709 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.05 -42.18 33.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.027 -1.046 . . . . 0.0 109.089 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 25.9 tp -55.57 -42.48 74.79 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -52.96 -56.95 12.14 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.832 -1.167 . . . . 0.0 108.788 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -48.26 -35.62 12.42 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.977 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.6 OUTLIER -66.01 -47.92 72.87 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.05 -1.031 . . . . 0.0 108.772 179.185 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.9 mt -52.7 -38.82 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.649 -1.282 . . . . 0.0 109.503 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -61.87 -26.0 67.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.867 . . . . 0.0 110.744 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -120.97 -2.94 9.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.404 -0.81 . . . . 0.0 110.504 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' B' ' 35' ' ' LEU . 21.8 tt0 -98.74 -32.22 11.49 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.954 -1.091 . . . . 0.0 110.872 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -126.29 34.65 4.8 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.364 -0.835 . . . . 0.0 109.962 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 79.9 p -70.58 -24.88 62.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 109.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.627 ' CE1' ' H2 ' ' A' ' 0' ' ' MET . 56.0 m-70 -74.03 -42.89 59.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.982 . . . . 0.0 110.201 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -77.63 -22.41 50.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 110.016 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -48.32 -27.29 2.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.0 109.321 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.24 -39.2 41.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.138 -0.977 . . . . 0.0 110.161 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.98 59.61 5.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.109 -0.994 . . . . 0.0 110.48 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 48.4 mm -119.75 107.46 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.469 -0.769 . . . . 0.0 108.953 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -83.42 -57.13 3.38 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.078 -1.014 . . . . 0.0 108.745 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 0.3 OUTLIER -75.52 113.84 13.4 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.806 . . . . 0.0 109.075 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -88.83 -23.69 22.76 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.012 -1.055 . . . . 0.0 109.786 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -74.76 -24.82 58.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.263 -0.898 . . . . 0.0 111.329 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.502 HG23 ' N ' ' B' ' 53' ' ' VAL . 28.3 m -74.75 -43.35 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 120.393 -1.442 . . . . 0.0 108.358 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.502 ' N ' HG23 ' B' ' 52' ' ' VAL . 82.8 t -68.1 -33.93 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 120.649 -1.282 . . . . 0.0 108.668 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -57.41 -43.01 83.4 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -70.09 -27.12 64.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.957 . . . . 0.0 109.858 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.24 -55.49 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 120.556 -1.34 . . . . 0.0 107.649 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 22.0 mmt -52.96 -28.58 24.39 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 0.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -88.67 -38.87 14.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.101 -0.999 . . . . 0.0 109.246 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.8 m -69.01 -39.77 79.1 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.6 tp -69.14 -57.14 5.79 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.815 -1.178 . . . . 0.0 107.959 177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.89 -18.22 0.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.092 -1.005 . . . . 0.0 109.123 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' B' ' 60' ' ' LEU . 87.7 mt-10 -100.25 41.03 1.19 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.341 1.067 . . . . 0.0 109.457 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 65' ' ' ASP . 18.2 p-10 -44.84 -34.13 2.21 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.084 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.29 -6.18 0.01 OUTLIER Glycine 0 N--CA 1.492 2.416 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.365 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' B' ' 63' ' ' ASP . 54.1 t0 -104.39 -31.41 9.53 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 120.708 -1.466 . . . . 0.0 111.878 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 -27.83 18.31 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 119.97 -1.706 . . . . 0.0 109.022 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.61 130.6 15.3 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.187 -1.184 . . . . 0.0 109.718 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 27' ' ' LEU . 11.5 m -104.02 126.88 51.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.154 -0.967 . . . . 0.0 109.41 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 23.8 t70 -81.27 -172.32 3.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.215 -0.928 . . . . 0.0 109.901 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.471 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 26.3 t80 -74.27 -28.87 61.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 108.806 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -63.82 -36.04 82.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.858 -1.151 . . . . 0.0 108.526 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.04 -24.91 61.61 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.94 . . . . 0.0 109.687 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.521 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.0 OUTLIER -73.2 -41.89 63.29 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.342 -0.849 . . . . 0.0 108.713 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.79 -51.84 55.72 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.285 -1.509 . . . . 0.0 108.487 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.93 -54.29 46.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.249 -1.532 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -59.89 -36.96 78.04 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.877 -1.14 . . . . 0.0 109.181 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 73' ' ' PHE . 41.5 t -69.76 -34.13 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.895 . . . . 0.0 108.951 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -68.25 -51.72 41.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -0.906 . . . . 0.0 109.419 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mmm -50.58 -36.47 34.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 110.488 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 80.5 t -72.87 -47.96 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.719 -1.238 . . . . 0.0 109.367 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.6 m -70.17 -36.95 75.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.186 -0.947 . . . . 0.0 108.817 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.6 m -69.22 -26.65 64.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 109.844 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' B' ' 85' ' ' HIS . . . -56.6 -37.83 71.2 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' B' ' 85' ' ' HIS . 11.1 m -74.11 41.28 0.13 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.494 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 22.8 t60 -48.72 176.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.454 -0.779 . . . . 0.0 109.587 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.494 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 38.7 tt0 56.95 19.24 4.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 108.929 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.627 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 32.7 p90 -63.36 -24.51 67.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 0.0 109.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CE1' ' CE1' ' B' ' 87' ' ' PHE . 12.9 m-85 -49.57 -31.02 9.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.183 -0.948 . . . . 0.0 108.92 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -91.23 55.34 2.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.497 -0.752 . . . . 0.0 108.992 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -64.68 135.61 56.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.367 -0.833 . . . . 0.0 109.51 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.337 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.504 ' H3 ' ' CD ' ' A' ' 4' ' ' GLU . 1.4 tmt? . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 p -76.75 164.01 26.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 0.0 109.094 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -52.83 -35.78 57.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.15 -0.968 . . . . 0.0 109.51 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.74 -53.27 49.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.256 -0.902 . . . . 0.0 109.991 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' CD ' ' H3 ' ' A' ' 0' ' ' MET . 45.7 mt-10 -54.69 -47.45 73.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.953 -1.092 . . . . 0.0 109.018 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.76 -43.36 58.28 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.711 0.767 . . . . 0.0 109.991 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.665 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.38 -35.87 54.01 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.75 -0.594 . . . . 0.0 111.614 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.57 -49.28 78.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.068 -1.645 . . . . 0.0 107.797 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.0 t -62.15 -35.28 68.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 108.706 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -60.24 -48.55 81.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.254 -0.904 . . . . 0.0 109.003 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.5 mp -44.85 -38.38 4.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.265 -0.897 . . . . 0.0 109.079 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.572 HD12 ' N ' ' A' ' 11' ' ' ILE . 2.0 mp -67.14 -38.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . 16.1 t70 -49.72 -54.86 16.35 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.722 0.772 . . . . 0.0 109.404 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.42 -35.92 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.669 -0.644 . . . . 0.0 110.722 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.1 -35.92 82.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.342 -1.474 . . . . 0.0 108.805 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -79.81 -30.48 40.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.478 -0.764 . . . . 0.0 109.706 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.78 -45.64 74.32 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.413 -0.804 . . . . 0.0 109.855 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.19 54.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.039 -1.038 . . . . 0.0 108.997 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -97.92 60.44 1.49 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.452 -0.78 . . . . 0.0 109.824 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.9 -13.83 5.88 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.93 -30.69 71.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.453 -1.028 . . . . 0.0 108.604 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' ASP . 75.4 mt-10 -148.44 -44.8 0.15 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.66 -1.275 . . . . 0.0 109.758 178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.27 16.35 0.16 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' GLU . 23.4 t0 -48.55 -58.74 4.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -1.122 . . . . 0.0 108.234 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -89.98 159.75 16.73 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -111.66 46.43 1.12 Allowed 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -132.69 147.62 52.33 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.34 142.09 50.31 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.82 17.55 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.949 -1.094 . . . . 0.0 109.984 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.9 -38.83 79.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.191 -0.943 . . . . 0.0 109.882 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.61 -42.56 99.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -0.863 . . . . 0.0 110.905 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -33.85 63.14 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.914 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.88 -42.15 97.55 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.7 -57.36 11.8 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.521 -1.362 . . . . 0.0 108.771 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.57 -38.47 54.55 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.759 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.91 -38.45 86.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.185 -0.947 . . . . 0.0 109.292 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -62.04 -36.81 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.782 -1.199 . . . . 0.0 109.087 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.9 m-20 -63.79 -32.14 73.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.526 -0.734 . . . . 0.0 111.942 -177.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -106.63 5.29 28.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.089 -1.007 . . . . 0.0 111.662 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -123.4 -27.25 4.12 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.926 -1.109 . . . . 0.0 111.084 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.2 mt -115.68 30.95 7.02 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.163 -0.961 . . . . 0.0 109.529 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 23.8 m -73.63 -26.76 60.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 42' ' ' HIS . 16.6 t-80 -73.4 -50.8 19.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.898 -1.126 . . . . 0.0 110.041 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -65.48 -26.63 68.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -54.25 -23.19 13.9 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.309 -0.869 . . . . 0.0 109.393 -179.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.3 -41.35 34.09 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.972 -1.08 . . . . 0.0 109.527 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 36.3 mt-10 -87.82 60.78 6.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.94 101.61 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.442 -0.786 . . . . 0.0 109.069 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HZ3' ' CD2' ' A' ' 85' ' ' HIS . 53.0 mttp -84.32 -42.06 16.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.0 108.932 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -88.22 106.41 18.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 0.0 108.845 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.05 -22.01 29.17 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.874 -1.141 . . . . 0.0 110.743 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -73.28 -23.31 60.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.921 -1.112 . . . . 0.0 111.222 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 52' ' ' VAL . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 120.433 -1.417 . . . . 0.0 108.585 178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.99 -34.61 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.582 -1.324 . . . . 0.0 108.696 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.06 -44.53 87.54 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.369 -0.832 . . . . 0.0 109.685 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.37 -26.31 64.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.199 -0.938 . . . . 0.0 109.908 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.73 -57.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.734 -1.229 . . . . 0.0 108.474 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.61 -25.76 11.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.0 109.753 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -86.07 -33.69 20.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.988 -1.07 . . . . 0.0 108.948 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -68.12 -47.59 67.73 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.826 -1.171 . . . . 0.0 108.049 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 76' ' ' PHE . 50.2 mt -59.25 -57.19 14.09 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 108.372 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -21.66 2.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.061 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -102.94 41.77 1.22 Allowed 'General case' 0 N--CA 1.499 1.982 0 CA-C-O 122.233 1.016 . . . . 0.0 109.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 65' ' ' ASP . 28.2 t0 -43.97 -36.16 2.35 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.672 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.3 -10.77 0.01 OUTLIER Glycine 0 N--CA 1.496 2.698 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.403 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.7 p30 -106.86 -31.51 8.34 Favored 'General case' 0 N--CA 1.514 2.762 0 CA-C-N 119.424 1.612 . . . . 0.0 112.203 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.66 -25.45 26.65 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 119.916 -1.74 . . . . 0.0 109.496 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -150.14 129.77 13.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.939 -1.33 . . . . 0.0 110.361 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.89 52.49 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.18 -0.95 . . . . 0.0 108.829 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 31.2 t0 -83.31 -173.49 4.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.173 -0.954 . . . . 0.0 110.193 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 30.7 t80 -74.34 -27.03 60.5 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.3 -42.65 92.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.125 -0.985 . . . . 0.0 108.81 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.01 -24.9 65.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.22 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 26.5 t80 -76.37 -39.79 52.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.411 -0.806 . . . . 0.0 108.883 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.68 -28.07 65.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.56 -1.337 . . . . 0.0 108.749 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.15 -46.03 21.66 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.418 -1.426 . . . . 0.0 109.924 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' CG ' HD21 ' A' ' 60' ' ' LEU . 20.2 m-85 -66.65 -32.59 74.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.58 -1.325 . . . . 0.0 109.068 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.569 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 21.7 t -62.77 -35.14 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.269 -0.894 . . . . 0.0 108.867 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 t -69.65 -51.95 30.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.516 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 51.7 mtp -49.75 -38.72 34.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 110.57 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.81 -45.27 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.121 -0.987 . . . . 0.0 109.624 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 m -69.58 -41.6 75.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 108.841 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.3 p -74.05 -22.73 59.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.038 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . -57.84 -23.81 54.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.931 -1.106 . . . . 0.0 108.828 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 86' ' ' GLU . 41.4 t -72.45 138.71 47.26 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.348 -0.845 . . . . 0.0 109.437 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 85' ' ' HIS . 7.5 p80 -46.75 91.02 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.365 -0.834 . . . . 0.0 109.944 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 84' ' ' CYS . 44.4 mt-10 49.59 98.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.265 -0.897 . . . . 0.0 109.84 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 24.1 p90 -58.06 -24.08 57.07 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.253 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 58.2 m-85 -52.24 -40.51 61.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.233 -0.917 . . . . 0.0 108.854 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' GLU . 47.0 mt-10 -81.46 63.2 5.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.517 -0.739 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -67.33 71.11 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 89' ' ' GLU . 50.8 mm-40 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.539 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.516 ' H3 ' ' CD ' ' B' ' 4' ' ' GLU . 1.4 tmt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 25.1 p -76.69 164.02 26.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -0.948 . . . . 0.0 109.036 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.88 -35.78 58.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.095 -1.003 . . . . 0.0 109.51 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.67 -53.31 49.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 110.058 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.516 ' CD ' ' H3 ' ' B' ' 0' ' ' MET . 45.6 mt-10 -54.71 -47.4 73.77 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.978 -1.076 . . . . 0.0 109.004 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -50.79 -43.35 58.61 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.717 0.77 . . . . 0.0 109.976 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.665 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.42 -35.75 53.85 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.762 -0.586 . . . . 0.0 111.672 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mmm -59.62 -49.29 78.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.043 -1.661 . . . . 0.0 107.76 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 t -62.14 -35.26 67.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.274 -0.891 . . . . 0.0 108.731 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -60.26 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 108.974 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.5 mp -44.79 -38.37 4.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.232 -0.918 . . . . 0.0 109.116 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.565 HD12 ' N ' ' B' ' 11' ' ' ILE . 2.0 mp -67.14 -38.79 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' B' ' 9' ' ' ALA . 16.0 t70 -49.72 -54.85 16.41 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.714 0.769 . . . . 0.0 109.422 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.8 t -76.51 -35.87 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.693 -0.629 . . . . 0.0 110.709 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.339 -1.476 . . . . 0.0 108.831 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -79.8 -30.47 40.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.737 . . . . 0.0 109.721 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -54.74 -45.7 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -71.85 -47.2 54.65 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.006 -1.059 . . . . 0.0 108.979 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.2 p -97.87 60.41 1.5 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.354 -0.842 . . . . 0.0 109.878 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.95 -13.75 5.88 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 107.872 -2.091 . . . . 0.0 107.872 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -63.95 -30.77 71.82 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.444 -1.033 . . . . 0.0 108.589 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' B' ' 23' ' ' ASP . 75.3 mt-10 -148.37 -44.78 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.658 -1.276 . . . . 0.0 109.73 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.31 16.24 0.16 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 21' ' ' GLU . 23.4 t0 -48.45 -58.74 4.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -1.175 . . . . 0.0 108.264 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -90.01 159.84 16.66 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -111.68 46.4 1.13 Allowed 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -132.69 147.65 52.33 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 tp -121.36 142.12 50.29 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -93.8 154.81 17.55 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.969 -1.082 . . . . 0.0 110.019 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.579 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -58.94 -38.83 79.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.21 -0.931 . . . . 0.0 109.862 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 35.9 p -61.57 -42.58 99.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.422 -0.798 . . . . 0.0 110.921 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -74.36 -33.82 63.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.909 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.88 -42.14 97.55 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -54.8 -57.28 12.19 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.522 -1.362 . . . . 0.0 108.758 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.54 -38.55 54.75 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.772 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.2 tp -66.89 -38.43 86.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.16 -0.963 . . . . 0.0 109.295 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.98 -36.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.768 -1.207 . . . . 0.0 109.105 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.9 m-20 -63.76 -32.18 73.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.494 -0.754 . . . . 0.0 111.921 -177.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -106.66 5.39 28.85 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.106 -0.996 . . . . 0.0 111.698 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -123.38 -27.31 4.11 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.95 -1.094 . . . . 0.0 111.073 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 mt -115.7 30.93 7.03 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.123 -0.985 . . . . 0.0 109.487 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 23.3 m -73.67 -26.69 60.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.0 110.124 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.41 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 16.6 t-80 -73.44 -50.82 19.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.911 -1.118 . . . . 0.0 109.978 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.44 -26.63 68.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.157 -0.964 . . . . 0.0 109.716 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -23.25 14.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.404 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -78.22 -41.4 34.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.011 -1.056 . . . . 0.0 109.523 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -87.75 60.79 6.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.265 -0.897 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 44.0 mm -119.98 101.53 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.486 -0.759 . . . . 0.0 109.088 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.478 ' HZ3' ' CD2' ' B' ' 85' ' ' HIS . 53.0 mttp -84.25 -42.06 16.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 108.968 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.19 106.41 18.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.205 -0.934 . . . . 0.0 108.819 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.11 -22.0 29.06 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.872 -1.143 . . . . 0.0 110.729 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -73.23 -23.29 60.35 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.899 -1.126 . . . . 0.0 111.217 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 m -75.86 -46.09 36.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.404 -1.435 . . . . 0.0 108.608 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.94 -34.61 71.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.668 -1.27 . . . . 0.0 108.755 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.08 -44.45 87.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.393 -0.817 . . . . 0.0 109.691 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -69.41 -26.34 64.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.179 -0.951 . . . . 0.0 109.833 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.75 -57.25 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.758 -1.214 . . . . 0.0 108.45 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 9.8 mmt -52.47 -25.89 11.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.751 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -86.07 -33.65 20.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.056 -1.028 . . . . 0.0 108.866 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 m -68.22 -47.48 67.72 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.857 -1.152 . . . . 0.0 108.016 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.423 HD21 ' CG ' ' B' ' 76' ' ' PHE . 50.1 mt -59.31 -57.14 14.31 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.645 -1.284 . . . . 0.0 108.385 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.09 -21.6 1.99 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.161 -0.962 . . . . 0.0 109.099 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -102.93 41.86 1.21 Allowed 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 122.241 1.02 . . . . 0.0 109.437 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 28.2 t0 -44.02 -36.14 2.38 Favored 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.236 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.25 -10.91 0.01 OUTLIER Glycine 0 N--CA 1.494 2.518 0 O-C-N 122.002 -0.436 . . . . 0.0 112.482 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.7 p30 -106.82 -31.47 8.37 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-N 119.374 1.587 . . . . 0.0 112.273 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.73 -25.46 26.56 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 119.92 -1.738 . . . . 0.0 109.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -150.08 129.8 13.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.971 -1.311 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.95 126.94 52.54 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.246 -0.909 . . . . 0.0 108.857 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 31.1 t0 -83.33 -173.48 4.73 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.153 -0.967 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.469 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 30.7 t80 -74.36 -27.01 60.47 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.37 -42.59 92.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.147 -0.971 . . . . 0.0 108.796 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.03 -24.87 65.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.899 . . . . 0.0 109.208 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 26.4 t80 -76.4 -39.86 52.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.395 -0.816 . . . . 0.0 108.819 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.61 -28.1 65.65 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.493 -1.379 . . . . 0.0 108.803 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.14 -45.99 21.81 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.423 -1.423 . . . . 0.0 109.953 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.423 ' CG ' HD21 ' B' ' 60' ' ' LEU . 20.0 m-85 -66.74 -32.53 73.89 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.541 -1.349 . . . . 0.0 109.04 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.564 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 21.7 t -62.77 -35.17 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 108.857 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.66 -52.01 29.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.149 -0.97 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 51.5 mtp -49.7 -38.7 34.17 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.293 -0.879 . . . . 0.0 110.568 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.85 -45.24 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.012 -1.055 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.7 m -69.51 -41.64 75.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.955 -1.091 . . . . 0.0 108.873 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 41.2 p -74.08 -22.74 59.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.417 -0.802 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . -57.83 -23.79 54.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.991 -1.068 . . . . 0.0 108.846 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' B' ' 86' ' ' GLU . 41.2 t -72.55 138.72 47.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.448 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' B' ' 85' ' ' HIS . 7.6 p80 -46.71 91.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.392 -0.817 . . . . 0.0 109.987 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 84' ' ' CYS . 44.5 mt-10 49.5 98.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.321 -0.862 . . . . 0.0 109.884 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.522 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 24.1 p90 -58.03 -24.04 56.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.039 -1.038 . . . . 0.0 109.218 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.522 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 58.3 m-85 -52.28 -40.51 61.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.127 -0.983 . . . . 0.0 108.882 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' B' ' 91' ' ' GLU . 46.9 mt-10 -81.45 63.15 5.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.487 -0.758 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -67.29 71.07 0.11 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 89' ' ' GLU . 50.8 mm-40 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.554 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -79.86 172.67 13.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 109.253 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.07 70.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -60.45 -49.15 78.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.438 -0.788 . . . . 0.0 109.548 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -51.41 -47.54 62.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.973 -1.08 . . . . 0.0 109.289 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.52 -44.98 56.42 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.878 0.847 . . . . 0.0 109.516 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.73 -36.88 59.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.881 -0.512 . . . . 0.0 111.012 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.91 79.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.377 -1.452 . . . . 0.0 107.748 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.7 t -62.04 -36.57 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.192 -0.942 . . . . 0.0 108.615 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.87 -47.37 85.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -45.73 -43.6 13.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.091 -1.006 . . . . 0.0 109.224 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.7 mp -64.64 -39.78 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 29.7 t0 -51.32 -54.07 29.83 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.545 0.688 . . . . 0.0 109.995 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -76.44 -45.4 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.553 -0.717 . . . . 0.0 110.725 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -54.32 -33.65 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 120.616 -1.302 . . . . 0.0 108.949 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -82.0 -30.88 31.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.512 -0.743 . . . . 0.0 110.078 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -53.63 -44.79 69.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -0.898 . . . . 0.0 109.657 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -73.66 -46.86 44.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.147 -0.971 . . . . 0.0 108.814 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.3 p -99.54 57.51 1.03 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.43 -0.794 . . . . 0.0 109.92 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.33 -13.73 6.21 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 107.794 -2.123 . . . . 0.0 107.794 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -64.02 -29.24 70.4 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.465 -1.021 . . . . 0.0 108.809 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASP . 38.2 mt-10 -147.48 -46.1 0.17 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.675 -1.266 . . . . 0.0 109.944 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.75 14.84 0.13 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.7 t0 -47.98 -53.49 15.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -1.186 . . . . 0.0 108.654 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -89.59 -179.62 5.83 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 19.7 t-160 -131.69 43.96 2.98 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.54 150.92 49.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.691 -0.631 . . . . 0.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' CYS . 18.0 tp -121.14 143.35 49.15 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -93.04 154.89 17.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.881 -1.137 . . . . 0.0 109.755 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.53 -40.97 84.46 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.231 -0.918 . . . . 0.0 109.908 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.2 m -58.62 -40.04 82.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.369 -0.832 . . . . 0.0 111.104 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.62 -35.89 44.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.932 -1.105 . . . . 0.0 108.969 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.96 -44.05 94.67 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -53.0 -57.68 9.54 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 120.56 -1.338 . . . . 0.0 108.523 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -51.48 -38.7 55.15 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 119.407 -0.917 . . . . 0.0 108.82 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 tp -67.63 -38.23 83.59 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.206 -0.934 . . . . 0.0 109.602 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.63 -33.52 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.953 -1.092 . . . . 0.0 109.223 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -67.3 -45.73 75.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.292 -0.88 . . . . 0.0 112.045 -177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.53 5.1 47.0 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.862 -1.149 . . . . 0.0 111.686 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.98 -25.42 4.57 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.941 -1.099 . . . . 0.0 110.475 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.6 29.26 7.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.246 -0.909 . . . . 0.0 109.738 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.1 p -72.18 -53.09 13.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.585 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 41' ' ' SER . 70.4 t60 -54.88 -50.34 68.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -61.35 -29.32 69.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 109.415 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -48.39 -29.0 3.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.576 -179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -79.7 -40.39 29.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 81.8 mt-10 -84.26 57.55 4.31 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.13 -0.981 . . . . 0.0 110.656 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.57 126.3 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.271 -0.893 . . . . 0.0 109.422 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 4.0 mptp? -93.15 -58.45 2.31 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.444 -0.785 . . . . 0.0 109.304 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.14 108.22 5.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.234 -0.916 . . . . 0.0 109.805 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.9 -23.04 31.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.219 -0.925 . . . . 0.0 109.418 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.57 -20.58 61.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.158 -0.964 . . . . 0.0 109.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.15 -47.25 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.89 -32.47 54.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.033 -1.042 . . . . 0.0 109.456 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.97 90.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.402 -0.811 . . . . 0.0 110.365 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -69.58 -26.18 64.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.211 -0.931 . . . . 0.0 110.11 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -56.55 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.771 -1.206 . . . . 0.0 108.419 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.86 -25.6 12.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.325 -0.859 . . . . 0.0 109.988 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.08 -34.03 19.28 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.811 -1.18 . . . . 0.0 109.254 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -69.02 -48.32 63.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.865 -1.147 . . . . 0.0 108.076 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 76' ' ' PHE . 11.0 mp -58.44 -56.97 15.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.556 -1.34 . . . . 0.0 107.724 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.36 -23.3 2.27 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.288 -0.882 . . . . 0.0 109.185 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -102.3 40.21 1.38 Allowed 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 122.103 0.954 . . . . 0.0 109.401 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 65' ' ' ASP . 30.5 t0 -44.49 -35.87 2.69 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-O 121.617 0.722 . . . . 0.0 109.612 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.53 -8.3 0.01 OUTLIER Glycine 0 N--CA 1.495 2.579 0 C-N-CA 121.224 -0.512 . . . . 0.0 111.947 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.7 t70 -104.81 -31.24 9.4 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 119.348 1.574 . . . . 0.0 111.941 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.35 -26.83 23.14 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 119.887 -1.758 . . . . 0.0 109.387 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -146.9 129.15 15.71 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -1.175 . . . . 0.0 109.574 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' LEU . 4.0 m -102.61 125.76 49.45 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.012 -1.055 . . . . 0.0 109.0 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 72' ' ' GLU . 6.9 p30 -83.62 -173.27 4.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.313 -0.867 . . . . 0.0 110.278 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -75.34 -34.23 61.18 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.78 -38.1 77.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.961 -1.087 . . . . 0.0 108.644 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 27.1 mm-40 -71.76 -24.47 61.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.455 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 77' ' ' VAL . 56.5 t80 -72.43 -40.36 67.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 5.5 mmt -66.74 -54.24 24.95 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.406 -1.434 . . . . 0.0 108.457 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.55 70.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.384 -1.448 . . . . 0.0 111.209 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 60' ' ' LEU . 15.7 m-85 -69.08 -35.56 76.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.648 -1.282 . . . . 0.0 109.728 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 73' ' ' PHE . 24.2 t -63.75 -32.54 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.82 -52.91 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.896 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.52 -39.93 36.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 0.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.48 -47.21 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.007 -1.058 . . . . 0.0 109.316 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.5 m -63.44 -41.01 98.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.235 -0.915 . . . . 0.0 108.65 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.4 p -74.34 -20.82 59.96 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.752 . . . . 0.0 109.831 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.0 50.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.968 -1.083 . . . . 0.0 108.43 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 10.2 t -73.54 142.21 46.69 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 1.8 t60 -55.95 -167.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 0.0 109.338 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.609 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 5.1 pt-20 -50.21 91.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.096 -1.002 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 85' ' ' HIS . 2.5 p90 -56.93 -24.04 49.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.236 -0.915 . . . . 0.0 109.064 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -52.04 -40.18 60.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 109.31 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -83.64 67.14 9.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.427 -0.796 . . . . 0.0 109.175 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 10.8 t-80 -75.59 125.43 29.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.293 -0.879 . . . . 0.0 109.422 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.464 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' B' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -79.87 172.61 13.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 0.0 109.177 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 25.5 mp0 -58.56 -34.01 70.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.102 -0.999 . . . . 0.0 109.14 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.43 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.1 tt -60.48 -49.15 78.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.436 -0.79 . . . . 0.0 109.571 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -51.37 -47.56 62.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.948 -1.095 . . . . 0.0 109.304 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -50.55 -44.94 56.69 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 109.491 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.76 -36.88 59.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.863 -0.523 . . . . 0.0 111.02 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -48.89 79.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.445 -1.409 . . . . 0.0 107.769 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 38.8 t -62.0 -36.58 74.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.222 -0.924 . . . . 0.0 108.619 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -58.93 -47.27 85.64 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.303 -0.873 . . . . 0.0 109.399 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.3 mp -45.78 -43.62 13.29 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.102 -0.998 . . . . 0.0 109.227 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.62 HD12 ' N ' ' B' ' 11' ' ' ILE . 1.7 mp -64.59 -39.78 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 9' ' ' ALA . 29.9 t0 -51.39 -54.08 30.17 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.565 0.697 . . . . 0.0 109.991 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -76.4 -45.43 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.483 -0.761 . . . . 0.0 110.765 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.28 -33.64 59.11 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.575 -1.328 . . . . 0.0 108.987 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -82.08 -30.74 31.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.514 -0.741 . . . . 0.0 110.104 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.7 -44.76 70.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.191 -0.943 . . . . 0.0 109.684 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -73.64 -46.93 43.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.1 -1.0 . . . . 0.0 108.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 92.4 p -99.5 57.48 1.03 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.527 -0.733 . . . . 0.0 109.959 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.24 -13.78 6.24 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 107.835 -2.106 . . . . 0.0 107.835 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -63.94 -29.27 70.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.47 -1.018 . . . . 0.0 108.846 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 38.2 mt-10 -147.5 -45.99 0.17 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.695 -1.253 . . . . 0.0 109.98 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.71 14.85 0.13 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 25.7 t0 -48.03 -53.45 16.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.166 . . . . 0.0 108.654 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.42 ' HZ3' ' HB2' ' B' ' 24' ' ' LYS . 18.9 mtmm -89.57 -179.62 5.84 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 19.7 t-160 -131.77 43.99 2.97 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -135.6 150.93 49.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.691 -0.63 . . . . 0.0 109.359 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 68' ' ' CYS . 18.0 tp -121.15 143.32 49.17 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -92.99 154.86 17.9 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.873 -1.142 . . . . 0.0 109.775 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.47 -41.02 84.28 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.201 -0.937 . . . . 0.0 109.948 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 60.3 m -58.61 -40.04 82.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.821 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -78.63 -35.93 44.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.927 -1.108 . . . . 0.0 108.952 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.88 -44.07 94.38 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -52.96 -57.72 9.38 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.573 -1.329 . . . . 0.0 108.496 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -51.52 -38.69 55.33 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.384 -0.926 . . . . 0.0 108.812 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.0 tp -67.67 -38.23 83.47 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.178 -0.951 . . . . 0.0 109.545 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.3 mt -59.62 -33.51 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.871 -1.143 . . . . 0.0 109.266 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -67.29 -45.76 75.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.257 -0.902 . . . . 0.0 112.019 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.5 5.04 47.2 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.805 -1.184 . . . . 0.0 111.733 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -122.95 -25.43 4.58 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.996 -1.065 . . . . 0.0 110.494 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -119.62 29.27 7.68 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.336 -0.853 . . . . 0.0 109.667 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' B' ' 42' ' ' HIS . 4.1 p -72.1 -53.15 13.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.588 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.422 ' N ' ' OG ' ' B' ' 41' ' ' SER . 70.3 t60 -54.93 -50.27 69.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.057 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -61.36 -29.38 69.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.364 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.543 ' O ' HD23 ' B' ' 44' ' ' LEU . 0.9 OUTLIER -48.39 -28.97 3.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.497 -0.752 . . . . 0.0 109.577 -179.609 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -79.74 -40.4 28.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.053 -1.03 . . . . 0.0 110.381 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.437 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 81.8 mt-10 -84.29 57.58 4.33 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.213 -0.929 . . . . 0.0 110.665 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.52 126.34 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 4.0 mptp? -93.13 -58.51 2.3 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.48 -0.763 . . . . 0.0 109.307 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.12 108.26 5.22 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 0.0 109.758 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -84.01 -22.94 31.17 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.72 -20.46 61.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.141 -0.974 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.18 -47.32 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 120.698 -1.251 . . . . 0.0 107.668 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.82 -32.48 54.14 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.088 -1.007 . . . . 0.0 109.496 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -62.69 -45.99 90.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.781 . . . . 0.0 110.392 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -69.6 -26.14 64.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.076 -1.015 . . . . 0.0 110.139 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.22 -56.59 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 120.728 -1.232 . . . . 0.0 108.424 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.91 -25.57 12.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.4 -0.813 . . . . 0.0 109.976 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -87.02 -34.13 19.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.873 -1.142 . . . . 0.0 109.27 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 m -68.96 -48.35 63.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.865 -1.147 . . . . 0.0 108.069 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' B' ' 76' ' ' PHE . 11.0 mp -58.46 -56.92 15.96 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.576 -1.328 . . . . 0.0 107.742 177.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -50.37 -23.31 2.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.205 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -102.17 40.18 1.38 Allowed 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.105 0.955 . . . . 0.0 109.717 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' B' ' 65' ' ' ASP . 29.1 t0 -44.33 -35.97 2.59 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.161 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.4 -8.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.279 0 C-N-CA 121.152 -0.546 . . . . 0.0 112.13 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 63' ' ' ASP . 11.8 t70 -104.74 -31.31 9.4 Favored 'General case' 0 N--CA 1.51 2.541 0 CA-C-N 119.237 1.518 . . . . 0.0 111.934 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.45 -26.89 22.91 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 119.898 -1.751 . . . . 0.0 109.403 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -146.92 129.13 15.67 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.182 -1.187 . . . . 0.0 109.615 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' B' ' 27' ' ' LEU . 4.0 m -102.64 125.86 49.52 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.01 -1.056 . . . . 0.0 108.948 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -83.72 -173.18 4.57 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.24 -0.912 . . . . 0.0 110.293 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.42 -34.21 60.99 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -58.75 -38.14 77.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.93 -1.106 . . . . 0.0 108.61 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.77 -24.52 61.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.426 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.56 ' O ' HG23 ' B' ' 77' ' ' VAL . 56.3 t80 -72.47 -40.27 67.1 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.206 -0.934 . . . . 0.0 108.741 177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.511 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 5.5 mmt -66.76 -54.2 25.26 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 120.399 -1.438 . . . . 0.0 108.478 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.74 -47.49 70.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.362 -1.461 . . . . 0.0 111.227 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.447 ' CD1' HD11 ' B' ' 60' ' ' LEU . 15.5 m-85 -69.14 -35.6 76.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.685 -1.259 . . . . 0.0 109.685 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 73' ' ' PHE . 24.2 t -63.68 -32.5 57.12 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -71.94 -52.84 15.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.0 109.834 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 60.5 mtp -49.59 -39.91 36.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.216 -0.928 . . . . 0.0 110.446 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.46 -47.17 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 109.335 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m -63.42 -41.08 98.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.237 -0.914 . . . . 0.0 108.599 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 45.0 p -74.34 -20.81 59.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.552 -0.717 . . . . 0.0 109.832 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.02 -31.03 49.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.105 . . . . 0.0 108.399 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' B' ' 85' ' ' HIS . 10.3 t -73.53 142.15 46.72 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.48 -0.763 . . . . 0.0 108.961 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.608 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 1.8 t60 -55.93 -167.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.199 -0.938 . . . . 0.0 109.34 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.608 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 5.1 pt-20 -50.21 91.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' B' ' 85' ' ' HIS . 2.5 p90 -57.01 -24.0 50.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.295 -0.878 . . . . 0.0 109.017 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -52.07 -40.2 60.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.316 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -83.57 67.18 9.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.427 -0.795 . . . . 0.0 109.204 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.426 ' ND1' ' C ' ' B' ' 90' ' ' HIS . 10.6 t-80 -75.65 125.39 28.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.364 -0.835 . . . . 0.0 109.397 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.465 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.525 ' SD ' ' N ' ' A' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p -87.04 170.28 11.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.197 -0.939 . . . . 0.0 109.244 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -60.36 -34.09 73.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.138 -0.976 . . . . 0.0 109.386 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.7 tt -59.7 -48.0 83.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.283 -0.886 . . . . 0.0 109.421 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.89 -43.97 49.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.076 -1.015 . . . . 0.0 109.339 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.51 -42.29 54.7 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.863 0.84 . . . . 0.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.34 -29.5 57.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.792 -0.567 . . . . 0.0 111.175 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -47.06 76.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.498 -1.376 . . . . 0.0 108.038 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.48 -37.23 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.231 -0.918 . . . . 0.0 109.511 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -47.98 80.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.125 -0.984 . . . . 0.0 108.826 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -47.68 -48.46 29.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.166 -0.959 . . . . 0.0 109.093 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.21 -43.55 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.1 -50.82 47.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.581 0.705 . . . . 0.0 110.175 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.54 -46.24 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.523 -0.736 . . . . 0.0 111.312 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.97 -35.25 64.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.26 -1.525 . . . . 0.0 109.033 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -77.62 -31.63 52.95 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 0.0 110.045 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.36 74.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.373 -0.829 . . . . 0.0 109.911 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -71.31 -45.37 63.2 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.997 -1.064 . . . . 0.0 109.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -99.96 60.91 1.09 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.191 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.07 -13.87 6.28 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.52 -31.67 72.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -1.026 . . . . 0.0 108.86 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 53.3 mm-40 -145.04 -44.99 0.23 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.682 -1.261 . . . . 0.0 109.741 178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.85 15.11 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.1 t70 -47.69 -61.43 1.94 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -1.177 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -89.79 177.97 6.37 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 30.3 p-80 -124.69 46.49 2.31 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.18 148.59 52.03 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.812 -0.555 . . . . 0.0 109.646 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 tp -124.48 140.94 52.48 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -94.31 150.58 20.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.079 -1.013 . . . . 0.0 109.997 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.05 82.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.827 . . . . 0.0 110.573 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.38 -42.29 86.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.14 -33.56 33.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.083 -1.01 . . . . 0.0 108.454 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.11 -46.01 90.94 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.11 -1.071 . . . . 0.0 108.11 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.42 14.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.386 -1.446 . . . . 0.0 108.806 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.56 -34.94 8.32 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.455 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.36 -41.04 81.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.928 -1.107 . . . . 0.0 109.3 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.49 -44.2 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.749 -1.219 . . . . 0.0 109.802 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 1.2 m-20 -58.72 -52.18 66.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -0.881 . . . . 0.0 111.125 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -88.0 1.96 52.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.232 -0.918 . . . . 0.0 111.242 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.76 -30.08 9.65 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.972 -1.08 . . . . 0.0 110.819 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.6 mt -122.99 25.44 8.56 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.314 -0.866 . . . . 0.0 109.856 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.57 -58.98 5.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.412 -0.805 . . . . 0.0 109.699 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 42' ' ' HIS . 3.7 m80 -62.49 -43.62 98.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.112 -0.993 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -29.29 67.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.56 -48.27 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.764 . . . . 0.0 109.884 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.19 -36.91 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 110.111 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.33 58.05 3.91 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.199 -0.938 . . . . 0.0 110.872 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 48' ' ' LYS . 88.5 mt -126.37 158.57 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.292 -0.88 . . . . 0.0 108.874 178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 47' ' ' ILE . 56.4 mttp -145.61 -42.74 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.105 -0.997 . . . . 0.0 108.674 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.92 64.24 8.54 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.79 -30.05 1.53 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.416 -0.802 . . . . 0.0 110.954 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -71.45 -24.26 61.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.102 -0.999 . . . . 0.0 110.346 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.61 -48.81 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.39 -31.55 53.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 108.643 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.9 -47.95 84.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.462 -0.774 . . . . 0.0 109.97 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -66.51 -27.06 67.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.085 -1.009 . . . . 0.0 109.572 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.14 -56.1 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.693 -1.255 . . . . 0.0 107.895 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.472 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.0 OUTLIER -53.22 -29.85 34.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.493 -0.754 . . . . 0.0 109.768 -179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -86.98 -37.53 17.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.908 -1.12 . . . . 0.0 109.215 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.8 m -68.01 -43.89 77.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' C ' ' N ' ' A' ' 62' ' ' GLU . 7.7 tp -64.47 -57.14 10.06 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 108.034 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.15 -19.09 0.68 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.168 -0.958 . . . . 0.0 109.023 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 60' ' ' LEU . 8.8 mm-40 -102.42 42.37 1.15 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 122.283 1.04 . . . . 0.0 109.002 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' A' ' 65' ' ' ASP . 24.2 p-10 -44.18 -34.79 1.96 Allowed 'General case' 0 C--N 1.274 -2.676 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.661 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -8.8 0.01 OUTLIER Glycine 0 N--CA 1.498 2.803 0 O-C-N 122.041 -0.412 . . . . 0.0 112.332 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 63' ' ' ASP . 3.7 p30 -104.71 -31.45 9.35 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 119.386 1.593 . . . . 0.0 111.971 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 103.2 -27.3 20.63 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 119.949 -1.719 . . . . 0.0 109.369 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.49 130.95 16.69 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.179 -1.189 . . . . 0.0 109.543 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 m -107.9 127.81 54.06 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.128 -0.982 . . . . 0.0 109.419 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 14.6 t70 -83.79 -172.24 4.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.254 -0.903 . . . . 0.0 109.885 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.439 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 24.1 t80 -73.24 -37.41 66.36 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.372 -0.83 . . . . 0.0 108.838 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.925 -1.109 . . . . 0.0 108.995 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.91 -24.79 60.88 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.164 -0.96 . . . . 0.0 109.978 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.7 t80 -76.15 -39.91 53.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.201 -0.937 . . . . 0.0 109.378 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.15 -28.86 65.69 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.44 -1.413 . . . . 0.0 109.318 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.15 -56.58 4.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.258 -1.527 . . . . 0.0 110.775 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.75 -32.6 65.75 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.541 -1.349 . . . . 0.0 109.575 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 73' ' ' PHE . 55.0 t -69.94 -32.86 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -69.14 -48.18 63.08 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.123 -0.985 . . . . 0.0 110.261 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 83' ' ' ALA . 27.3 mtt -54.21 -53.03 59.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.842 -1.161 . . . . 0.0 110.082 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.6 -48.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.286 -0.884 . . . . 0.0 109.567 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -68.1 -40.13 82.68 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.076 -1.015 . . . . 0.0 108.576 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -72.16 -19.62 61.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -54.29 -46.09 72.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.915 . . . . 0.0 108.992 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 85' ' ' HIS . 30.3 p -74.47 55.13 0.62 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.514 ' CG ' ' H ' ' A' ' 86' ' ' GLU . 47.8 t-80 -48.5 176.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.394 -0.816 . . . . 0.0 109.971 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.514 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 36.6 tt0 58.19 23.68 10.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 109.46 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 14.9 p90 -65.64 -24.73 67.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.993 -1.067 . . . . 0.0 109.374 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.585 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 27.2 m-85 -51.07 -39.05 55.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.174 -0.954 . . . . 0.0 108.961 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 30.5 mp0 -85.43 60.67 6.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.429 -0.794 . . . . 0.0 109.412 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 91' ' ' GLU . 56.4 t-80 -70.92 107.16 3.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.18 -0.95 . . . . 0.0 109.283 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 12.0 pt-20 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.401 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.532 ' SD ' ' N ' ' B' ' 0' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 53.5 p -87.05 170.27 11.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.172 -0.955 . . . . 0.0 109.163 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.33 -34.09 73.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.177 -0.952 . . . . 0.0 109.39 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.458 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.7 tt -59.71 -48.06 83.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.402 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.9 -43.91 49.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 0.0 109.316 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -50.58 -42.26 55.46 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.845 0.831 . . . . 0.0 109.761 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.36 -29.49 57.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.783 -0.573 . . . . 0.0 111.2 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -46.98 76.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.512 -1.368 . . . . 0.0 108.13 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.56 -37.17 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.228 -0.92 . . . . 0.0 109.493 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.33 -47.94 80.26 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.995 . . . . 0.0 108.847 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -47.74 -48.44 29.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.148 -0.97 . . . . 0.0 109.026 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.3 mm -60.33 -43.48 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -50.08 -50.82 46.81 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.544 0.688 . . . . 0.0 110.167 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.59 -46.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.535 -0.728 . . . . 0.0 111.272 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -54.95 -35.31 64.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.215 -1.553 . . . . 0.0 108.984 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -77.6 -31.68 53.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.5 -0.75 . . . . 0.0 110.016 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -54.99 -44.4 74.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.381 -0.824 . . . . 0.0 109.937 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -71.21 -45.43 63.37 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.989 -1.07 . . . . 0.0 109.097 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -99.99 60.89 1.09 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.359 -0.838 . . . . 0.0 110.167 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.02 -13.88 6.31 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.874 -2.09 . . . . 0.0 107.874 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 -63.55 -31.58 72.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.511 -0.993 . . . . 0.0 108.93 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 53.4 mm-40 -145.04 -45.06 0.23 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.646 -1.284 . . . . 0.0 109.762 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.92 15.03 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 11.1 t70 -47.6 -61.53 1.88 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.24 -1.153 . . . . 0.0 108.599 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -89.73 178.04 6.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 30.4 p-80 -124.73 46.45 2.32 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -130.1 148.61 51.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.81 -0.556 . . . . 0.0 109.618 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 27' ' ' LEU . 19.3 tp -124.5 140.94 52.47 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -94.29 150.53 20.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.993 -1.067 . . . . 0.0 110.021 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -40.1 82.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.413 -0.804 . . . . 0.0 110.547 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -58.35 -42.28 86.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.114 -0.991 . . . . 0.0 110.155 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.13 -33.56 33.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.022 . . . . 0.0 108.463 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.1 -46.07 90.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -52.19 -56.38 14.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.485 -1.384 . . . . 0.0 108.847 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -47.57 -34.94 8.37 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.448 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.34 -41.09 81.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 109.291 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.3 mt -56.55 -44.16 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.799 -1.188 . . . . 0.0 109.749 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' B' ' 37' ' ' ASN . 1.2 m-20 -58.74 -52.24 66.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.0 111.02 -178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -87.93 1.96 52.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.238 -0.914 . . . . 0.0 111.282 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -105.78 -30.07 9.65 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 120.963 -1.086 . . . . 0.0 110.837 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 66.5 mt -123.04 25.44 8.53 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.35 -0.844 . . . . 0.0 109.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -55.58 -59.04 5.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.36 -0.838 . . . . 0.0 109.656 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' B' ' 42' ' ' HIS . 3.7 m80 -62.45 -43.58 98.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.087 -1.008 . . . . 0.0 109.741 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -29.29 67.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.882 . . . . 0.0 109.09 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -47.52 -48.31 27.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.517 -0.74 . . . . 0.0 109.889 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.11 -36.95 61.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.95 -1.094 . . . . 0.0 110.146 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.34 58.06 3.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.166 -0.959 . . . . 0.0 110.898 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.473 HG22 ' N ' ' B' ' 48' ' ' LYS . 89.0 mt -126.31 158.57 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.31 -0.868 . . . . 0.0 108.92 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.473 ' N ' HG22 ' B' ' 47' ' ' ILE . 56.4 mttp -145.64 -42.82 0.22 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.183 -0.948 . . . . 0.0 108.634 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.88 64.2 8.49 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -45.71 -30.08 1.48 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.398 -0.814 . . . . 0.0 111.005 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.43 -24.26 62.0 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.991 -1.068 . . . . 0.0 110.313 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 50.9 t -73.68 -48.72 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.44 -31.51 53.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.065 -1.022 . . . . 0.0 108.637 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -60.97 -47.92 84.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.452 -0.78 . . . . 0.0 109.984 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -66.46 -27.09 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.058 -1.027 . . . . 0.0 109.601 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.14 -56.11 18.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 120.696 -1.253 . . . . 0.0 107.885 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.0 OUTLIER -53.25 -29.83 34.93 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.751 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -86.92 -37.58 17.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.927 -1.108 . . . . 0.0 109.228 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 13.8 m -68.01 -43.9 77.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' B' ' 62' ' ' GLU . 7.8 tp -64.5 -57.16 9.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.794 -1.191 . . . . 0.0 107.999 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -50.06 -19.05 0.65 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.159 -0.963 . . . . 0.0 109.082 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 60' ' ' LEU . 8.8 mm-40 -102.53 42.49 1.14 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 122.327 1.06 . . . . 0.0 109.188 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.586 ' O ' ' N ' ' B' ' 65' ' ' ASP . 24.0 p-10 -44.05 -34.94 1.91 Allowed 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.341 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' B' ' 63' ' ' ASP . . . 51.09 -8.74 0.01 OUTLIER Glycine 0 N--CA 1.493 2.463 0 C-N-CA 121.44 -0.41 . . . . 0.0 112.526 178.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' B' ' 63' ' ' ASP . 3.6 p30 -104.71 -31.49 9.33 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.288 1.544 . . . . 0.0 111.973 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' B' ' 65' ' ' ASP . . . 103.29 -27.35 20.35 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.919 -1.738 . . . . 0.0 109.333 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -147.46 130.95 16.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.147 -1.208 . . . . 0.0 109.543 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.87 127.76 54.01 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.161 -0.962 . . . . 0.0 109.483 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 14.6 t70 -83.75 -172.28 4.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.206 -0.934 . . . . 0.0 109.914 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.437 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 24.2 t80 -73.25 -37.38 66.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.384 -0.822 . . . . 0.0 108.812 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -53.19 -36.4 60.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.897 -1.127 . . . . 0.0 108.965 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -72.91 -24.82 60.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.155 -0.966 . . . . 0.0 109.936 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.499 ' O ' HG23 ' B' ' 77' ' ' VAL . 61.4 t80 -76.19 -39.96 53.51 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.185 -0.947 . . . . 0.0 109.36 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.3 tpt -70.09 -28.88 65.77 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.431 -1.418 . . . . 0.0 109.324 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.07 -56.67 4.21 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.213 -1.554 . . . . 0.0 110.816 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -56.79 -32.5 65.74 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.548 -1.345 . . . . 0.0 109.625 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 73' ' ' PHE . 55.1 t -69.95 -32.84 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.0 109.642 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -69.23 -48.15 62.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.069 -1.02 . . . . 0.0 110.238 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.524 ' O ' ' N ' ' B' ' 83' ' ' ALA . 27.2 mtt -54.13 -53.1 57.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.871 -1.143 . . . . 0.0 110.121 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.67 -48.35 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.179 -0.951 . . . . 0.0 109.474 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -68.04 -40.15 82.92 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.066 -1.021 . . . . 0.0 108.599 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -72.17 -19.62 61.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.426 -0.796 . . . . 0.0 109.252 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -54.29 -46.08 72.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.863 . . . . 0.0 108.97 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.427 ' O ' ' O ' ' B' ' 85' ' ' HIS . 30.4 p -74.45 55.08 0.61 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.312 -0.867 . . . . 0.0 108.78 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' B' ' 86' ' ' GLU . 47.8 t-80 -48.5 176.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.472 -0.768 . . . . 0.0 109.965 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.528 ' H ' ' CG ' ' B' ' 85' ' ' HIS . 36.6 tt0 58.09 23.76 10.46 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.41 -0.806 . . . . 0.0 109.457 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.587 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 15.0 p90 -65.64 -24.73 67.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.968 -1.082 . . . . 0.0 109.38 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.587 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 27.0 m-85 -51.02 -39.05 54.93 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.999 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' B' ' 89' ' ' GLU . 30.5 mp0 -85.4 60.57 6.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.479 -0.763 . . . . 0.0 109.425 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' B' ' 91' ' ' GLU . 56.4 t-80 -70.85 107.12 3.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.168 -0.957 . . . . 0.0 109.303 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.482 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 12.0 pt-20 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.418 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 16.0 ptt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p -62.46 167.85 4.0 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.05 -1.031 . . . . 0.0 108.949 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.57 -33.2 67.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.172 -0.955 . . . . 0.0 109.811 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.6 tt -63.68 -43.9 95.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.46 -48.16 66.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.825 -1.172 . . . . 0.0 108.987 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.1 -42.5 50.38 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.721 0.772 . . . . 0.0 110.128 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.597 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.87 -29.82 55.98 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.631 -0.668 . . . . 0.0 111.133 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.56 -48.21 80.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.418 -1.426 . . . . 0.0 107.955 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.88 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.3 -0.875 . . . . 0.0 109.366 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.99 -48.07 81.13 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.07 -1.019 . . . . 0.0 108.363 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mt -46.14 -40.92 11.8 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.259 -0.901 . . . . 0.0 108.977 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.47 -40.94 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . 10.2 t70 -49.86 -52.4 32.95 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.689 0.757 . . . . 0.0 109.865 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.8 t -76.72 -34.18 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.572 -0.705 . . . . 0.0 111.297 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.66 -35.52 81.02 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.324 -1.485 . . . . 0.0 109.323 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.05 -31.28 39.48 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.414 -0.804 . . . . 0.0 109.874 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -53.8 -45.19 70.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.392 -0.817 . . . . 0.0 109.542 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -72.86 -48.04 40.95 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.151 -0.968 . . . . 0.0 109.037 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.8 m -98.12 60.45 1.44 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.314 -0.866 . . . . 0.0 109.805 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.27 -11.94 7.15 Favored Glycine 0 N--CA 1.503 3.142 0 N-CA-C 108.119 -1.993 . . . . 0.0 108.119 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.8 mtt-85 -63.7 -30.49 71.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.495 -1.003 . . . . 0.0 109.092 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 23' ' ' ASP . 39.1 mt-10 -147.91 -44.93 0.16 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.665 -1.272 . . . . 0.0 110.012 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.48 14.12 0.18 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' GLU . 46.1 t0 -47.56 -58.97 3.6 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.249 -1.147 . . . . 0.0 108.459 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.97 176.42 7.66 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.12 46.08 2.43 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -132.57 149.57 52.29 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.264 0.554 . . . . 0.0 109.994 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' CYS . 19.1 tp -126.25 144.54 50.75 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -94.29 157.45 16.04 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.026 -1.046 . . . . 0.0 110.241 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -60.6 -40.09 90.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.336 -0.852 . . . . 0.0 110.218 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -58.56 -40.84 84.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.333 -0.855 . . . . 0.0 111.035 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.72 -41.26 38.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.99 -1.069 . . . . 0.0 108.868 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 32' ' ' LEU . 2.3 tt -55.16 -44.33 75.08 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' NZ ' ' CE ' ' A' ' 57' ' ' MET . 59.2 tttp -51.07 -55.96 14.99 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.404 -1.435 . . . . 0.0 108.972 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.33 -35.4 12.32 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.564 -0.855 . . . . 0.0 109.924 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.74 -43.83 79.01 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.659 -1.276 . . . . 0.0 109.36 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 mt -54.67 -35.76 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.706 -1.246 . . . . 0.0 109.793 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.06 -35.75 80.54 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.28 -0.888 . . . . 0.0 111.755 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.62 -19.88 14.64 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.969 -1.082 . . . . 0.0 111.487 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 40' ' ' LEU . 3.4 mp0 -101.03 -26.38 13.73 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.847 -1.158 . . . . 0.0 110.255 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.4 mp -116.11 26.14 10.17 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.331 -0.855 . . . . 0.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 42' ' ' HIS . 4.7 p -67.38 -51.63 49.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.317 -0.864 . . . . 0.0 109.785 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.403 ' N ' ' OG ' ' A' ' 41' ' ' SER . 76.5 t60 -53.84 -40.54 66.54 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.126 -0.984 . . . . 0.0 110.019 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -71.96 -29.71 64.54 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.002 -1.062 . . . . 0.0 109.635 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -51.34 -25.88 6.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.186 -179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.6 37.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.005 -1.059 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -86.08 60.36 6.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.026 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -120.39 110.84 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.442 -0.786 . . . . 0.0 109.339 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 48' ' ' LYS . 12.2 mptt -93.35 -49.65 5.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.197 -0.94 . . . . 0.0 109.147 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' GLU . 20.5 mt-10 -82.58 67.99 8.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.899 . . . . 0.0 109.515 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -45.89 -21.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' GLU . 33.7 mt-10 -75.38 -23.35 57.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.247 -0.908 . . . . 0.0 110.073 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.25 -49.35 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.664 -1.272 . . . . 0.0 107.864 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.75 -33.75 63.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.971 -1.081 . . . . 0.0 108.693 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -58.66 -45.88 88.39 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.501 -0.75 . . . . 0.0 109.742 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.75 -26.53 65.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.872 . . . . 0.0 109.783 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.0 t -67.02 -56.74 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 120.776 -1.203 . . . . 0.0 108.297 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.509 ' CE ' ' NZ ' ' A' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.39 39.55 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.489 -0.757 . . . . 0.0 110.127 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -85.6 -35.32 21.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.986 -1.072 . . . . 0.0 109.224 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.8 m -68.91 -43.88 74.29 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.678 -1.264 . . . . 0.0 108.123 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.489 HD21 ' CG ' ' A' ' 76' ' ' PHE . 91.2 mt -59.14 -56.91 16.19 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.613 -1.305 . . . . 0.0 108.028 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.8 -21.16 1.03 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.279 -0.888 . . . . 0.0 109.042 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -102.97 40.63 1.35 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.099 0.952 . . . . 0.0 109.388 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 65' ' ' ASP . 11.8 p-10 -44.54 -35.33 2.48 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-O 121.659 0.742 . . . . 0.0 109.724 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.12 -6.25 0.01 OUTLIER Glycine 0 N--CA 1.495 2.592 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.813 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' A' ' 63' ' ' ASP . 31.4 t70 -106.24 -31.32 8.7 Favored 'General case' 0 N--CA 1.514 2.746 0 CA-C-N 119.188 1.494 . . . . 0.0 112.196 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.2 -26.59 23.75 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 119.816 -1.803 . . . . 0.0 109.308 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.87 130.38 14.85 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.148 -1.207 . . . . 0.0 109.559 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' LEU . 2.7 m -104.09 127.01 51.65 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.068 -1.02 . . . . 0.0 109.493 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.49 -172.06 3.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.15 -0.969 . . . . 0.0 110.282 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -74.94 -25.81 59.16 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.532 -0.73 . . . . 0.0 109.19 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.42 -36.99 85.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.836 -1.165 . . . . 0.0 108.737 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -70.62 -22.77 62.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.134 -0.979 . . . . 0.0 109.655 179.515 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 77' ' ' VAL . 71.3 t80 -74.73 -41.16 60.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.06 -1.025 . . . . 0.0 109.629 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.4 -52.82 28.73 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.294 -1.504 . . . . 0.0 109.039 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.43 73.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.289 -1.507 . . . . 0.0 111.765 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CG ' HD21 ' A' ' 60' ' ' LEU . 17.2 m-85 -66.03 -34.05 77.2 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.448 -1.407 . . . . 0.0 109.886 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.7 t -68.29 -33.35 60.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.431 ' O ' ' OG1' ' A' ' 82' ' ' THR . 26.1 p -69.32 -53.39 19.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -0.941 . . . . 0.0 109.523 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.42 -38.39 28.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.034 -1.041 . . . . 0.0 110.129 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.29 -58.3 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.904 -1.122 . . . . 0.0 109.419 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -57.64 -38.97 75.95 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 78' ' ' SER . 6.5 m -74.4 -20.03 60.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.619 -0.676 . . . . 0.0 109.559 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.94 61.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.055 -1.028 . . . . 0.0 108.76 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 85' ' ' HIS . 42.3 t -75.5 56.22 0.86 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.464 -0.772 . . . . 0.0 109.13 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 84' ' ' CYS . 3.0 p80 -46.43 169.31 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.235 -0.915 . . . . 0.0 109.646 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 60.14 22.3 11.58 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.261 -0.9 . . . . 0.0 109.454 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CE2' ' CE1' ' A' ' 88' ' ' PHE . 12.0 p90 -62.62 -24.99 67.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.972 . . . . 0.0 109.544 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.629 ' CE1' ' CE2' ' A' ' 87' ' ' PHE . 4.7 m-85 -51.53 -29.89 18.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.143 -0.973 . . . . 0.0 109.067 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 91' ' ' GLU . 46.7 mt-10 -91.91 59.03 3.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.348 -0.845 . . . . 0.0 109.447 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -70.02 38.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.333 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 55.3 p -62.45 167.87 3.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.109 -0.994 . . . . 0.0 108.832 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.61 -33.16 67.94 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.17 -0.956 . . . . 0.0 109.745 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.474 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.7 tt -63.75 -43.84 95.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 109.421 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -52.44 -48.25 65.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 108.911 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -50.03 -42.55 49.68 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.72 0.771 . . . . 0.0 110.142 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.597 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.87 -29.81 55.97 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.617 -0.677 . . . . 0.0 111.125 -178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.61 -48.18 80.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.43 -1.419 . . . . 0.0 107.934 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.7 -36.84 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.289 -0.882 . . . . 0.0 109.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.0 -48.08 81.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.005 -1.059 . . . . 0.0 108.403 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' B' ' 9' ' ' ALA . 7.2 mt -46.03 -41.01 11.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.29 -0.881 . . . . 0.0 109.044 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 99.6 mt -65.46 -40.93 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 9' ' ' ALA . 10.1 t70 -49.77 -52.44 31.84 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 121.663 0.744 . . . . 0.0 109.904 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.7 -34.17 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.658 -0.651 . . . . 0.0 111.323 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -65.68 -35.56 81.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.254 -1.529 . . . . 0.0 109.302 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.03 -31.26 39.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.903 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -53.86 -45.09 70.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.575 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -72.91 -48.01 40.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.154 -0.966 . . . . 0.0 109.029 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 75.7 m -98.19 60.47 1.42 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.365 -0.834 . . . . 0.0 109.827 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 -11.99 7.11 Favored Glycine 0 N--CA 1.502 3.075 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -63.64 -30.45 71.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.491 -1.005 . . . . 0.0 109.096 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 39.2 mt-10 -147.93 -45.02 0.16 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.543 -1.348 . . . . 0.0 110.077 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.51 14.14 0.19 Allowed Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 46.2 t0 -47.58 -59.02 3.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.216 -1.167 . . . . 0.0 108.439 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -86.98 176.5 7.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -125.18 46.15 2.42 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -132.61 149.53 52.29 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.263 0.554 . . . . 0.0 110.014 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' B' ' 68' ' ' CYS . 19.2 tp -126.22 144.57 50.72 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -94.3 157.35 16.08 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.99 -1.069 . . . . 0.0 110.252 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -60.54 -40.08 90.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.356 -0.84 . . . . 0.0 110.226 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.4 p -58.57 -40.81 84.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.292 -0.88 . . . . 0.0 110.998 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.79 -41.2 38.2 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.852 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.552 ' O ' HD23 ' B' ' 32' ' ' LEU . 2.3 tt -55.17 -44.33 75.11 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' NZ ' ' CE ' ' B' ' 57' ' ' MET . 59.2 tttp -51.11 -55.86 15.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.432 -1.418 . . . . 0.0 109.017 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -48.39 -35.41 12.58 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.897 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.72 -43.85 79.04 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.631 -1.293 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mt -54.66 -35.77 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 120.706 -1.246 . . . . 0.0 109.79 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -67.09 -35.75 80.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.892 . . . . 0.0 111.764 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -102.55 -19.9 14.68 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.005 -1.06 . . . . 0.0 111.496 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.499 ' O ' HD12 ' B' ' 40' ' ' LEU . 3.5 mp0 -100.99 -26.43 13.73 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.804 -1.185 . . . . 0.0 110.319 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.4 mp -116.08 26.17 10.15 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.276 -0.89 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.7 p -67.36 -51.61 50.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.848 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -53.9 -40.48 66.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.012 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -72.06 -29.69 64.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.037 -1.04 . . . . 0.0 109.587 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -51.32 -25.85 6.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.246 -0.909 . . . . 0.0 109.206 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.86 -38.61 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.067 -1.021 . . . . 0.0 109.981 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -86.1 60.39 6.21 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.207 -0.933 . . . . 0.0 110.017 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 45.3 mm -120.39 110.83 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.458 -0.776 . . . . 0.0 109.334 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' B' ' 48' ' ' LYS . 12.2 mptt -93.38 -49.63 5.84 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.118 -0.989 . . . . 0.0 109.129 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 51' ' ' GLU . 20.5 mt-10 -82.56 67.94 8.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.555 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -45.94 -21.66 0.15 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.235 -0.916 . . . . 0.0 109.824 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 49' ' ' GLU . 33.9 mt-10 -75.42 -23.27 56.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.25 -49.46 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.684 -1.26 . . . . 0.0 107.809 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.74 -33.75 63.72 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.042 -1.036 . . . . 0.0 108.642 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -58.66 -45.86 88.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.552 -0.717 . . . . 0.0 109.742 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -68.79 -26.5 65.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.289 -0.882 . . . . 0.0 109.784 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.01 -56.77 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 120.767 -1.208 . . . . 0.0 108.25 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.519 ' CE ' ' NZ ' ' B' ' 33' ' ' LYS . 7.7 mmt -54.65 -27.43 39.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.43 -0.794 . . . . 0.0 110.054 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -85.67 -35.23 21.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.016 -1.053 . . . . 0.0 109.223 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 10.6 m -68.98 -43.82 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.671 -1.268 . . . . 0.0 108.144 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.484 HD21 ' CG ' ' B' ' 76' ' ' PHE . 91.3 mt -59.21 -56.82 17.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.669 -1.269 . . . . 0.0 107.979 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -49.86 -21.1 1.04 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 109.055 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -102.87 40.61 1.35 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.138 0.971 . . . . 0.0 109.783 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' B' ' 65' ' ' ASP . 11.7 p-10 -44.46 -35.37 2.43 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-O 121.595 0.712 . . . . 0.0 109.257 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.05 -6.5 0.01 OUTLIER Glycine 0 N--CA 1.49 2.299 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.0 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' B' ' 63' ' ' ASP . 31.4 t70 -106.13 -31.26 8.78 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 119.097 1.448 . . . . 0.0 112.264 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.23 -26.63 23.57 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 119.736 -1.852 . . . . 0.0 109.312 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -148.81 130.44 14.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.173 -1.192 . . . . 0.0 109.489 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' B' ' 27' ' ' LEU . 2.7 m -104.12 127.07 51.68 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.107 -0.996 . . . . 0.0 109.477 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -85.54 -172.1 3.95 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.138 -0.976 . . . . 0.0 110.273 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.87 -25.83 59.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.467 -0.771 . . . . 0.0 109.222 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.44 -36.96 85.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.81 -1.181 . . . . 0.0 108.699 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 0.5 OUTLIER -70.6 -22.84 62.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.644 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.535 ' O ' HG23 ' B' ' 77' ' ' VAL . 71.4 t80 -74.62 -41.34 60.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.057 -1.027 . . . . 0.0 109.615 178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mmt -68.29 -52.86 28.94 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.289 -1.507 . . . . 0.0 109.029 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.49 73.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.209 -1.557 . . . . 0.0 111.755 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.484 ' CG ' HD21 ' B' ' 60' ' ' LEU . 17.4 m-85 -65.99 -34.06 77.23 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.434 -1.417 . . . . 0.0 109.907 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.8 t -68.25 -33.32 59.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 108.775 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.438 ' O ' ' OG1' ' B' ' 82' ' ' THR . 26.2 p -69.38 -53.31 20.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 109.59 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 56.4 mtp -49.41 -38.39 28.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.992 -1.067 . . . . 0.0 110.179 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.33 -58.31 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.942 -1.099 . . . . 0.0 109.365 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 33.4 m -57.68 -38.91 75.96 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 78' ' ' SER . 6.5 m -74.38 -20.09 60.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.613 -0.679 . . . . 0.0 109.557 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.07 -45.91 61.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.969 -1.082 . . . . 0.0 108.83 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' B' ' 85' ' ' HIS . 42.5 t -75.53 56.33 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 109.123 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' B' ' 84' ' ' CYS . 3.0 p80 -46.46 169.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.863 . . . . 0.0 109.608 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 60.09 22.36 11.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' B' ' 88' ' ' PHE . 12.0 p90 -62.57 -24.95 67.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.585 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' B' ' 87' ' ' PHE . 4.7 m-85 -51.6 -29.89 19.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 109.087 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 91' ' ' GLU . 46.7 mt-10 -91.85 59.0 3.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.855 . . . . 0.0 109.49 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -70.04 38.69 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' B' ' 89' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.087 -1.008 . . . . 0.0 109.341 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.517 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 2.3 mpt? . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p -90.54 168.62 11.68 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.102 -0.999 . . . . 0.0 109.456 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.83 -37.69 74.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 0.0 109.774 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -39.97 92.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.198 -0.939 . . . . 0.0 109.086 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 0' ' ' MET . 73.1 tt0 -56.44 -48.39 77.12 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.284 -0.885 . . . . 0.0 109.218 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 41.3 mmtm -47.97 -42.03 26.63 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.83 0.824 . . . . 0.0 109.364 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.12 -32.07 44.4 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.876 -0.515 . . . . 0.0 111.074 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.38 -40.57 86.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.449 -1.407 . . . . 0.0 108.484 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.98 -35.14 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.84 -49.92 75.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.347 -0.845 . . . . 0.0 109.674 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.52 -55.85 16.71 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.992 0.901 . . . . 0.0 109.798 -179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.412 HG23 ' CE1' ' B' ' 87' ' ' PHE . 87.2 mt -56.17 -37.58 50.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.598 -178.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.96 -36.4 75.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.809 -1.182 . . . . 0.0 110.477 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.8 t -71.9 -35.64 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.502 -1.374 . . . . 0.0 109.313 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.5 -34.03 76.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.833 -1.167 . . . . 0.0 108.19 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.11 -30.12 60.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.26 -43.8 74.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.428 -0.795 . . . . 0.0 110.078 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.93 -46.84 56.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.389 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.46 60.73 1.36 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.297 -0.877 . . . . 0.0 109.974 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.56 -13.54 6.74 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 107.754 -2.138 . . . . 0.0 107.754 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.9 -29.93 71.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.525 -0.985 . . . . 0.0 108.953 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 80.7 mt-10 -148.54 -45.25 0.15 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.667 -1.271 . . . . 0.0 109.967 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.28 12.62 0.19 Allowed Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 22.1 m-20 -49.13 -53.91 18.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -1.226 . . . . 0.0 108.226 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.47 178.36 5.97 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 26.5 p80 -128.28 47.16 2.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.35 152.2 51.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 109.865 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' CYS . 11.2 tp -126.63 143.42 51.23 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -95.62 155.9 16.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.051 -1.031 . . . . 0.0 110.226 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.74 -37.45 81.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.979 179.125 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 t -60.2 -41.84 93.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 110.758 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -79.4 -33.9 42.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.964 -1.085 . . . . 0.0 108.731 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.5 tt -62.94 -45.94 90.12 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.34 -56.76 12.74 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.69 -1.256 . . . . 0.0 108.76 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.02 -35.32 10.83 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 119.546 -0.862 . . . . 0.0 108.758 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -67.5 -41.98 83.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.117 -0.99 . . . . 0.0 108.505 179.055 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.7 -35.49 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.687 -1.258 . . . . 0.0 109.362 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' C ' HD22 ' A' ' 38' ' ' ASN . 9.2 m120 -65.84 -33.52 76.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.3 -0.875 . . . . 0.0 110.89 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.558 HD22 ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -112.33 -8.39 13.93 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.346 -0.846 . . . . 0.0 110.627 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.8 tp10 -92.38 -31.68 15.23 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.86 -1.15 . . . . 0.0 110.468 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -126.96 37.33 4.3 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.405 -0.81 . . . . 0.0 109.571 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.66 -28.23 63.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.365 -0.834 . . . . 0.0 110.217 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.49 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.32 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.055 -1.028 . . . . 0.0 109.936 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.81 -20.81 65.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -0.938 . . . . 0.0 109.199 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.93 -45.73 31.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.0 109.522 -179.516 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.72 -37.21 83.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.95 . . . . 0.0 110.067 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 78.5 mm-40 -88.94 62.37 6.31 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 110.534 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.57 116.49 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 O-C-N 121.395 -0.815 . . . . 0.0 109.036 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.29 -57.13 2.49 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.149 -0.97 . . . . 0.0 109.708 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.77 107.63 13.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.29 -21.28 36.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.051 -1.031 . . . . 0.0 110.301 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -71.99 -23.79 61.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.019 -1.051 . . . . 0.0 110.736 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.43 -48.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.494 -1.379 . . . . 0.0 108.003 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.57 -33.19 60.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 120.931 -1.105 . . . . 0.0 108.774 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.41 -46.72 87.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.226 -0.922 . . . . 0.0 109.839 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.45 -56.33 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.601 -1.312 . . . . 0.0 107.657 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.02 -27.47 13.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.294 -0.879 . . . . 0.0 109.359 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.89 -34.52 19.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.983 -1.073 . . . . 0.0 108.737 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -67.37 -46.26 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 76' ' ' PHE . 19.9 mt -61.6 -56.72 16.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.638 -1.289 . . . . 0.0 108.371 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.33 -23.63 9.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.577 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.95 40.77 1.21 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 122.294 1.045 . . . . 0.0 109.057 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.586 ' C ' ' H ' ' A' ' 65' ' ' ASP . 17.8 p-10 -44.68 -33.84 1.99 Allowed 'General case' 0 C--N 1.274 -2.698 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.64 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.99 -8.6 0.01 OUTLIER Glycine 0 N--CA 1.497 2.735 0 C-N-CA 121.378 -0.439 . . . . 0.0 112.105 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.586 ' H ' ' C ' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.37 8.27 Favored 'General case' 0 N--CA 1.512 2.67 0 CA-C-N 119.164 1.482 . . . . 0.0 112.174 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.58 -25.62 25.18 Favored Glycine 0 N--CA 1.502 3.035 0 O-C-N 119.828 -1.795 . . . . 0.0 109.132 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.0 130.71 15.99 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.242 -1.152 . . . . 0.0 109.44 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' LEU . 6.8 m -101.8 125.2 48.42 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.038 -1.039 . . . . 0.0 109.138 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.17 -175.92 5.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.244 -0.91 . . . . 0.0 109.736 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -75.32 -30.36 60.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 108.863 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -61.99 -37.13 83.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.072 -1.017 . . . . 0.0 108.852 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 33.3 mt-10 -72.68 -24.68 61.05 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.201 -0.937 . . . . 0.0 109.875 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 7.7 t80 -74.14 -42.08 60.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.445 -0.784 . . . . 0.0 109.289 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.18 -48.23 79.27 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.289 -1.507 . . . . 0.0 107.769 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.26 -42.79 63.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.319 -1.488 . . . . 0.0 110.719 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 72' ' ' GLU . 43.4 m-85 -69.82 -32.45 70.89 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.389 -1.445 . . . . 0.0 109.52 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.55 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 55.2 t -67.81 -35.4 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.143 -0.973 . . . . 0.0 109.473 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' A' ' 79' ' ' MET . 14.2 p -70.98 -54.28 11.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.125 -0.984 . . . . 0.0 110.045 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.413 ' O ' ' OG1' ' A' ' 82' ' ' THR . 23.8 mtm -53.35 -51.53 62.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.098 -1.002 . . . . 0.0 110.504 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.87 -43.7 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.402 -0.811 . . . . 0.0 110.019 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.62 80.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.936 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 79' ' ' MET . 8.6 p -57.06 -51.03 70.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.979 . . . . 0.0 109.583 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.86 -30.41 45.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 109.503 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 39.6 t -77.04 106.89 9.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.204 -0.935 . . . . 0.0 109.269 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' O ' ' O ' ' A' ' 84' ' ' CYS . 14.8 p-80 -61.17 -147.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 0.0 109.558 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 59.23 10.29 1.66 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.119 -0.988 . . . . 0.0 109.072 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CE1' HG23 ' B' ' 11' ' ' ILE . 3.0 t80 -71.15 -59.41 2.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.952 . . . . 0.0 109.426 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -98.71 -42.08 7.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.879 . . . . 0.0 109.08 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -86.72 65.59 9.08 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -74.98 85.44 2.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.21 -0.931 . . . . 0.0 109.146 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.472 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.496 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 2.3 mpt? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p -90.57 168.66 11.64 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.174 -0.954 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -57.87 -37.72 74.45 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.11 -39.92 91.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.26 -0.9 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 0' ' ' MET . 73.3 tt0 -56.54 -48.31 77.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.364 -0.835 . . . . 0.0 109.256 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -47.98 -42.02 26.72 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.843 0.83 . . . . 0.0 109.371 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.744 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.17 -32.04 44.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.855 -0.528 . . . . 0.0 111.077 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.4 tpt -59.39 -40.56 86.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.407 -1.433 . . . . 0.0 108.475 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.99 -35.12 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.261 -0.9 . . . . 0.0 109.328 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.0 75.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.298 -0.876 . . . . 0.0 109.689 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.49 -55.92 16.21 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 122.014 0.911 . . . . 0.0 109.781 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.407 HG23 ' CE1' ' A' ' 87' ' ' PHE . 87.0 mt -56.05 -37.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.596 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.98 -36.42 75.17 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.784 -1.197 . . . . 0.0 110.47 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 67.9 t -71.8 -35.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.467 -1.396 . . . . 0.0 109.308 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -62.48 -34.01 76.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.81 -1.181 . . . . 0.0 108.171 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -75.16 -30.16 60.65 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.488 -0.758 . . . . 0.0 109.489 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -55.31 -43.75 75.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.469 -0.769 . . . . 0.0 110.039 -179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -71.91 -46.87 56.17 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.063 -1.023 . . . . 0.0 109.38 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.2 t -98.42 60.66 1.37 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.28 -0.888 . . . . 0.0 110.0 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.53 -13.5 6.78 Favored Glycine 0 N--CA 1.502 3.066 0 N-CA-C 107.74 -2.144 . . . . 0.0 107.74 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -62.93 -29.88 71.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.518 -0.99 . . . . 0.0 109.005 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 23' ' ' ASP . 80.7 mt-10 -148.55 -45.24 0.15 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.637 -1.29 . . . . 0.0 109.968 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.24 12.64 0.18 Allowed Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 21' ' ' GLU . 22.0 m-20 -49.1 -53.9 18.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.103 -1.233 . . . . 0.0 108.268 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -91.52 178.36 5.96 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' B' ' 25' ' ' HIS . 26.5 p80 -128.27 47.21 2.46 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -134.34 152.15 51.64 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.65 -0.656 . . . . 0.0 109.877 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' B' ' 68' ' ' CYS . 11.2 tp -126.54 143.39 51.22 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -95.67 155.91 16.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.047 -1.033 . . . . 0.0 110.11 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.578 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -60.77 -37.4 81.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 110.004 179.126 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.406 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 40.8 t -60.26 -41.8 94.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.343 -0.848 . . . . 0.0 110.744 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -79.42 -33.9 42.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.872 -1.143 . . . . 0.0 108.703 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.546 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.5 tt -62.99 -45.98 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -52.16 -56.83 12.04 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.678 -1.264 . . . . 0.0 108.784 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -48.0 -35.35 10.79 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.747 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -67.43 -41.99 83.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.09 -1.006 . . . . 0.0 108.56 179.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mm -54.75 -35.51 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.763 -1.21 . . . . 0.0 109.273 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.499 ' C ' HD22 ' B' ' 38' ' ' ASN . 9.2 m120 -65.76 -33.58 76.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 0.0 110.954 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.554 HD22 ' N ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -112.35 -8.3 13.93 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.326 -0.859 . . . . 0.0 110.612 -178.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.8 tp10 -92.41 -31.65 15.22 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.854 -1.154 . . . . 0.0 110.464 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 mt -126.93 37.35 4.3 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.432 -0.793 . . . . 0.0 109.562 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.7 p -71.68 -28.19 63.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.353 -0.842 . . . . 0.0 110.202 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.497 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 32.1 t-80 -74.25 -51.4 15.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.066 -1.021 . . . . 0.0 109.892 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -62.79 -20.81 65.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.187 -0.946 . . . . 0.0 109.16 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.509 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -47.87 -45.78 30.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.463 -0.773 . . . . 0.0 109.509 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 tt0 -61.68 -37.29 83.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.045 -1.034 . . . . 0.0 110.03 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.41 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 78.4 mm-40 -88.87 62.32 6.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.235 -0.916 . . . . 0.0 110.559 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 mm -124.53 116.45 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.393 -0.817 . . . . 0.0 109.058 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -95.26 -57.11 2.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.17 -0.956 . . . . 0.0 109.74 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -80.83 107.67 13.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.31 -21.27 36.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.023 -1.048 . . . . 0.0 110.311 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -71.99 -23.8 61.47 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.058 -1.026 . . . . 0.0 110.784 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 77.4 t -75.4 -48.77 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 120.48 -1.388 . . . . 0.0 107.989 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.63 -33.19 60.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.845 -1.16 . . . . 0.0 108.722 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.43 -46.76 87.83 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.345 -0.847 . . . . 0.0 109.606 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -66.9 -26.74 67.02 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.174 -0.954 . . . . 0.0 109.825 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.42 -56.28 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 120.612 -1.305 . . . . 0.0 107.689 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.4 mmt -52.08 -27.5 14.18 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.271 -0.893 . . . . 0.0 109.354 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.82 -34.58 19.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.002 -1.061 . . . . 0.0 108.776 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.6 m -67.42 -46.21 73.84 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.4 HD21 ' CD2' ' B' ' 76' ' ' PHE . 20.0 mt -61.6 -56.67 17.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.666 -1.271 . . . . 0.0 108.423 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.31 -23.66 9.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.261 -0.9 . . . . 0.0 109.563 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -99.99 40.93 1.19 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.364 1.078 . . . . 0.0 109.408 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' B' ' 65' ' ' ASP . 17.8 p-10 -44.58 -33.98 1.97 Allowed 'General case' 0 C--N 1.274 -2.687 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.265 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.9 -8.64 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 C-N-CA 121.373 -0.441 . . . . 0.0 112.206 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.7 OUTLIER -107.18 -31.41 8.25 Favored 'General case' 0 N--CA 1.51 2.559 0 CA-C-N 119.084 1.442 . . . . 0.0 112.123 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.73 -25.65 24.93 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 119.896 -1.752 . . . . 0.0 109.101 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -147.97 130.68 15.99 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.161 -1.2 . . . . 0.0 109.423 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' B' ' 27' ' ' LEU . 6.8 m -101.75 125.17 48.36 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.01 -1.056 . . . . 0.0 109.185 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -82.12 -175.93 5.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 109.803 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -75.37 -30.25 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.324 -0.86 . . . . 0.0 108.876 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -62.13 -37.03 83.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.098 -1.001 . . . . 0.0 108.846 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.518 ' O ' ' CD2' ' B' ' 76' ' ' PHE . 33.3 mt-10 -72.65 -24.77 61.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 7.6 t80 -74.13 -42.0 60.68 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.458 -0.776 . . . . 0.0 109.345 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.5 tpt -63.21 -48.26 79.07 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.301 -1.499 . . . . 0.0 107.75 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.25 -42.75 63.91 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.329 -1.482 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' B' ' 72' ' ' GLU . 43.5 m-85 -69.79 -32.58 71.14 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.408 -1.432 . . . . 0.0 109.478 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 55.3 t -67.78 -35.4 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.159 -0.963 . . . . 0.0 109.474 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.411 ' OG ' ' N ' ' B' ' 79' ' ' MET . 14.3 p -70.96 -54.28 11.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.122 -0.986 . . . . 0.0 110.075 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.423 ' O ' ' OG1' ' B' ' 82' ' ' THR . 23.9 mtm -53.35 -51.59 61.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.13 -0.981 . . . . 0.0 110.473 -178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.81 -43.66 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.388 -0.82 . . . . 0.0 110.09 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.8 p -68.54 -40.66 80.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.065 -1.022 . . . . 0.0 109.914 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 79' ' ' MET . 8.7 p -57.04 -51.01 70.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.052 -1.03 . . . . 0.0 109.596 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.89 -30.41 45.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 109.52 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' B' ' 85' ' ' HIS . 39.7 t -77.0 106.87 8.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.222 -0.924 . . . . 0.0 109.265 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' B' ' 84' ' ' CYS . 14.9 p-80 -61.19 -147.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.521 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 59.29 10.21 1.67 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.059 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.412 ' CE1' HG23 ' A' ' 11' ' ' ILE . 3.0 t80 -71.14 -59.32 2.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.147 -0.971 . . . . 0.0 109.479 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -98.71 -42.05 7.41 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.315 -0.866 . . . . 0.0 109.108 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -86.77 65.54 9.05 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -74.94 85.46 2.26 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.176 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.495 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.617 ' N ' ' CE1' ' B' ' 42' ' ' HIS . 27.9 ttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.413 ' OG ' ' OE1' ' A' ' 4' ' ' GLU . 6.5 p -83.33 164.9 19.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.951 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.83 -32.36 63.52 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.247 -0.908 . . . . 0.0 109.211 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.9 tt -58.24 -53.12 61.9 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.199 -0.938 . . . . 0.0 109.537 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.5 mp0 -51.34 -47.19 62.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 109.427 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -51.04 -44.56 61.11 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.819 0.819 . . . . 0.0 109.464 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.797 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.72 -28.62 58.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.79 -0.569 . . . . 0.0 111.051 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.2 tpt -66.18 -50.86 62.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.385 -1.447 . . . . 0.0 108.612 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.51 -35.92 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.33 -0.856 . . . . 0.0 109.194 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -57.97 -47.63 82.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.094 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -45.9 -43.08 13.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.211 -0.931 . . . . 0.0 109.441 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.667 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.8 mp -65.05 -39.9 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.6 t70 -51.12 -53.44 34.29 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.664 0.745 . . . . 0.0 109.957 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.6 t -76.88 -44.74 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.564 -0.71 . . . . 0.0 111.289 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.83 -35.3 70.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.29 -1.507 . . . . 0.0 108.871 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -78.53 -30.5 47.05 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 0.0 109.732 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.73 -43.78 69.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.329 -0.857 . . . . 0.0 109.528 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.37 49.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.11 -0.994 . . . . 0.0 109.058 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -96.81 61.06 1.83 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.277 -0.889 . . . . 0.0 110.273 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.77 -15.03 7.01 Favored Glycine 0 N--CA 1.503 3.101 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -60.99 -31.09 70.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.534 -0.98 . . . . 0.0 109.311 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 23' ' ' ASP . 37.1 mt-10 -148.8 -44.41 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.624 -1.298 . . . . 0.0 110.34 179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.41 12.34 0.18 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.6 t0 -48.96 -55.53 11.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -1.186 . . . . 0.0 108.342 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -178.16 5.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -130.86 47.3 2.55 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -133.66 150.11 51.55 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.0 tp -123.65 141.34 52.11 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.7 148.89 23.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.848 -1.158 . . . . 0.0 109.555 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.3 pttm -56.94 -41.44 78.27 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.35 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 5.0 m -57.87 -40.2 79.61 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.41 -0.806 . . . . 0.0 111.069 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.19 -33.9 43.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.005 -1.06 . . . . 0.0 109.068 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.12 -44.16 97.26 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.47 -57.21 10.62 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.599 -1.313 . . . . 0.0 108.785 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.27 -35.34 11.91 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 119.376 -0.929 . . . . 0.0 108.948 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -66.42 -49.56 66.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.028 -1.045 . . . . 0.0 108.737 179.083 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.6 mt -52.45 -38.73 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.698 -1.252 . . . . 0.0 109.694 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.28 -27.89 69.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.164 -0.96 . . . . 0.0 110.655 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.14 2.91 11.45 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.458 -0.776 . . . . 0.0 110.512 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 35' ' ' LEU . 30.4 tt0 -104.95 -31.69 9.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.127 -0.983 . . . . 0.0 110.659 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.9 mt -125.41 38.85 4.09 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.445 -0.785 . . . . 0.0 109.662 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.5 p -68.45 -29.17 67.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.58 ' CE1' ' N ' ' B' ' 0' ' ' MET . 12.8 m170 -75.08 -51.87 12.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.943 -1.098 . . . . 0.0 109.94 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.21 -20.06 65.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.057 -1.027 . . . . 0.0 109.22 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.32 -50.67 38.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.356 -0.84 . . . . 0.0 109.717 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.97 -29.62 60.52 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.304 -0.872 . . . . 0.0 109.816 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -92.14 61.04 3.88 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.283 -0.885 . . . . 0.0 110.905 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.5 mt -124.64 104.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.343 -0.848 . . . . 0.0 108.79 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.4 -46.58 7.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.101 -0.999 . . . . 0.0 109.423 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -83.75 66.54 9.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.0 109.382 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.02 -23.7 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.309 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 10.9 mp0 -74.23 -25.21 59.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.218 -0.926 . . . . 0.0 110.312 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 64.0 t -73.8 -49.72 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.11 -31.86 54.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 108.65 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -61.95 -49.49 75.93 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.365 -0.834 . . . . 0.0 109.813 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.39 -26.78 68.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.213 -0.93 . . . . 0.0 109.835 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.16 -55.15 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 120.682 -1.261 . . . . 0.0 108.001 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.72 -26.08 43.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.401 -0.812 . . . . 0.0 110.361 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.11 -39.95 14.16 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.006 -1.059 . . . . 0.0 109.786 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.93 -36.28 77.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.704 -1.247 . . . . 0.0 107.841 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.8 tp -69.11 -58.53 3.95 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.863 -1.148 . . . . 0.0 108.024 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 52.8 t0 -50.15 -20.12 0.93 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.203 -0.936 . . . . 0.0 109.197 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 69.7 mm-40 -100.02 41.74 1.15 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 122.323 1.059 . . . . 0.0 108.964 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 65' ' ' ASP . 14.9 p-10 -43.51 -34.62 1.41 Allowed 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.624 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.31 -7.08 0.01 OUTLIER Glycine 0 N--CA 1.496 2.676 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' A' ' 63' ' ' ASP . 35.0 t70 -106.12 -31.4 8.72 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 119.133 1.466 . . . . 0.0 111.952 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 -25.09 25.42 Favored Glycine 0 N--CA 1.504 3.169 0 CA-C-N 121.02 1.737 . . . . 0.0 109.152 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -150.93 131.89 14.24 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.237 -1.155 . . . . 0.0 109.684 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.81 124.09 45.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.121 -0.987 . . . . 0.0 108.548 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -83.1 -172.88 4.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.185 -0.947 . . . . 0.0 109.743 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -74.87 -34.1 62.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 108.822 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.38 -38.62 80.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.991 -1.068 . . . . 0.0 108.731 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -72.6 -23.72 60.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 77' ' ' VAL . 40.4 t80 -74.36 -42.2 59.76 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.433 -0.792 . . . . 0.0 109.236 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.06 -52.0 58.25 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.189 -1.569 . . . . 0.0 108.409 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.84 -50.37 66.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.298 -1.502 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.51 -36.82 85.05 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.753 -1.217 . . . . 0.0 109.529 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.5 t -65.01 -32.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.231 -0.918 . . . . 0.0 109.187 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.1 -51.79 28.93 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.211 -0.931 . . . . 0.0 110.082 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.1 tpp -50.57 -37.5 40.15 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.147 -0.97 . . . . 0.0 110.768 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -73.61 -48.79 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 109.809 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.8 m -61.96 -48.37 80.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.59 -22.64 56.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.349 -0.845 . . . . 0.0 109.663 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.95 76.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.144 -0.973 . . . . 0.0 109.379 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' GLU . 12.1 m -75.5 92.15 2.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 109.628 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.454 ' C ' ' H ' ' A' ' 87' ' ' PHE . 39.0 m170 -50.68 -11.32 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.422 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' CYS . 39.8 mm-40 -75.17 30.38 0.1 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.675 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 85' ' ' HIS . 10.2 t80 -68.29 -53.59 23.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.181 -0.949 . . . . 0.0 108.886 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE2' ' ND1' ' B' ' 15' ' ' HIS . 3.0 m-30 -96.36 -35.67 11.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 108.77 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' GLU . 8.6 tp10 -90.79 69.63 6.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.447 -0.783 . . . . 0.0 109.502 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -71.9 53.58 0.25 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.938 . . . . 0.0 109.176 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' GLU . 8.0 pt-20 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.016 -0.993 . . . . 0.0 109.448 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.58 ' N ' ' CE1' ' A' ' 42' ' ' HIS . 27.9 ttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.402 ' OG ' ' OE1' ' B' ' 4' ' ' GLU . 6.5 p -83.23 164.84 19.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.19 -0.944 . . . . 0.0 109.139 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.82 -32.35 63.49 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -0.936 . . . . 0.0 109.165 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.527 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.9 tt -58.23 -53.19 61.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' B' ' 4' ' ' GLU . 2.5 mp0 -51.25 -47.26 62.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.971 -1.08 . . . . 0.0 109.428 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' B' ' 5' ' ' LYS . 31.7 mmtp -51.04 -44.55 61.09 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.791 0.805 . . . . 0.0 109.462 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.797 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.78 -28.53 58.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.822 -0.549 . . . . 0.0 111.098 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 9.3 tpt -66.21 -50.88 62.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.443 -1.41 . . . . 0.0 108.628 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 t -60.42 -35.97 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.365 -0.834 . . . . 0.0 109.269 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' B' ' 10' ' ' LEU . . . -57.99 -47.58 82.59 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.299 -0.876 . . . . 0.0 109.125 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' B' ' 9' ' ' ALA . 83.1 mt -45.97 -42.99 13.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.485 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.662 HD12 ' N ' ' B' ' 11' ' ' ILE . 1.8 mp -65.1 -39.9 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.06 -53.47 33.46 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.639 0.733 . . . . 0.0 110.011 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.7 t -76.87 -44.78 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.637 -0.664 . . . . 0.0 111.214 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.82 -35.35 70.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.244 -1.535 . . . . 0.0 108.861 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.498 ' ND1' ' CE2' ' A' ' 88' ' ' PHE . 40.2 t60 -78.54 -30.41 46.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.373 -0.83 . . . . 0.0 109.779 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -53.8 -43.73 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.409 -0.807 . . . . 0.0 109.53 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.45 -48.4 49.63 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.073 -1.017 . . . . 0.0 109.06 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' B' ' 18' ' ' SER . 6.3 t -96.76 60.94 1.83 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.29 -0.881 . . . . 0.0 110.233 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.68 -15.11 7.03 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 107.734 -2.146 . . . . 0.0 107.734 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -60.86 -31.14 70.61 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.517 -0.99 . . . . 0.0 109.306 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' B' ' 23' ' ' ASP . 37.1 mt-10 -148.84 -44.35 0.15 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.639 -1.288 . . . . 0.0 110.413 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.4 12.31 0.18 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' B' ' 21' ' ' GLU . 52.6 t0 -49.0 -55.47 11.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.167 -1.196 . . . . 0.0 108.304 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -178.13 5.11 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -130.91 47.2 2.56 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -133.58 150.16 51.63 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 39.1 tp -123.62 141.39 52.06 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -89.77 148.9 22.96 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.843 -1.161 . . . . 0.0 109.551 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.3 pttm -56.95 -41.43 78.27 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.118 -0.989 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 5.0 m -57.9 -40.17 79.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.355 -0.841 . . . . 0.0 111.024 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.22 -33.86 43.36 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.012 -1.055 . . . . 0.0 109.076 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.4 tp -62.17 -44.17 97.21 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -52.48 -57.18 10.71 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 120.59 -1.318 . . . . 0.0 108.774 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -48.29 -35.35 12.03 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.958 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -66.36 -49.63 66.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.058 -1.026 . . . . 0.0 108.761 179.028 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -52.39 -38.73 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.671 -1.268 . . . . 0.0 109.699 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -64.36 -27.86 69.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.181 -0.949 . . . . 0.0 110.675 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -119.1 2.81 11.46 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 35' ' ' LEU . 30.4 tt0 -104.89 -31.7 9.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.145 -0.972 . . . . 0.0 110.716 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -125.42 38.94 4.07 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.6 p -68.51 -29.2 67.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 110.079 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.617 ' CE1' ' N ' ' A' ' 0' ' ' MET . 12.8 m170 -75.03 -51.88 12.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.91 -1.118 . . . . 0.0 109.958 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -63.17 -20.07 65.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.084 -1.01 . . . . 0.0 109.234 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.34 -50.61 39.03 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.371 -0.831 . . . . 0.0 109.719 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -56.01 -29.62 60.64 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.326 -0.859 . . . . 0.0 109.81 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -92.13 61.05 3.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.241 -0.912 . . . . 0.0 110.892 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.8 mt -124.65 104.06 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.315 -0.865 . . . . 0.0 108.857 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -92.37 -46.55 7.62 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.103 -0.998 . . . . 0.0 109.422 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.7 66.47 9.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -46.1 -23.65 0.34 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.945 . . . . 0.0 110.25 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' B' ' 51' ' ' GLU . 10.9 mp0 -74.24 -25.23 59.52 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.252 -0.905 . . . . 0.0 110.288 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 63.7 t -73.8 -49.74 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.07 -31.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.141 -0.974 . . . . 0.0 108.656 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.03 -49.39 76.21 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.488 -0.757 . . . . 0.0 109.815 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.38 -26.81 68.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 109.845 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.17 -55.13 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.651 -1.281 . . . . 0.0 107.968 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.2 mtt -55.76 -26.08 44.04 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.413 -0.804 . . . . 0.0 110.328 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.14 -39.91 14.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.015 -1.053 . . . . 0.0 109.821 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -36.28 77.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.768 -1.207 . . . . 0.0 107.898 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -69.1 -58.49 4.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.904 -1.123 . . . . 0.0 108.039 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 61' ' ' ASP . 52.9 t0 -50.12 -20.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.974 . . . . 0.0 109.163 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -100.07 41.77 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 122.356 1.074 . . . . 0.0 109.226 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.589 ' C ' ' H ' ' B' ' 65' ' ' ASP . 14.9 p-10 -43.41 -34.72 1.35 Allowed 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.207 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.21 -7.16 0.01 OUTLIER Glycine 0 N--CA 1.491 2.34 0 C-N-CA 121.31 -0.471 . . . . 0.0 112.091 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.589 ' H ' ' C ' ' B' ' 63' ' ' ASP . 34.9 t70 -106.17 -31.19 8.79 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 120.79 -1.417 . . . . 0.0 112.03 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.7 -25.22 24.95 Favored Glycine 0 N--CA 1.5 2.956 0 O-C-N 119.902 -1.749 . . . . 0.0 109.135 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -150.86 131.96 14.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -1.172 . . . . 0.0 109.631 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.3 t -100.86 124.05 45.96 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.103 -0.998 . . . . 0.0 108.565 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -83.05 -172.79 4.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.221 -0.924 . . . . 0.0 109.794 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -75.01 -34.03 61.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 108.774 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -59.42 -38.63 81.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.974 -1.079 . . . . 0.0 108.675 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.65 -23.64 60.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 0.0 109.618 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.562 ' O ' HG23 ' B' ' 77' ' ' VAL . 40.5 t80 -74.35 -42.16 59.86 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.315 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 7.9 tpt -65.08 -51.96 58.39 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.211 -1.555 . . . . 0.0 108.448 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.83 -50.37 66.35 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.319 -1.488 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -63.58 -36.74 84.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.7 -1.25 . . . . 0.0 109.489 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.6 t -65.02 -32.91 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.199 -0.938 . . . . 0.0 109.188 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.5 p -70.11 -51.79 28.77 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.223 -0.923 . . . . 0.0 110.068 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.0 tpp -50.5 -37.61 39.84 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.21 -0.931 . . . . 0.0 110.755 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.56 -48.72 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.876 -1.14 . . . . 0.0 109.858 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -61.95 -48.4 80.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.204 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 36.9 p -58.58 -22.58 56.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.86 75.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.395 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.474 ' C ' ' N ' ' B' ' 86' ' ' GLU . 12.0 m -75.49 92.11 2.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.307 -0.87 . . . . 0.0 109.634 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 87' ' ' PHE . 38.9 m170 -50.62 -11.31 0.08 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.379 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.474 ' N ' ' C ' ' B' ' 84' ' ' CYS . 39.7 mm-40 -75.22 30.35 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 109.696 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' B' ' 85' ' ' HIS . 10.1 t80 -68.25 -53.62 23.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.224 -0.923 . . . . 0.0 108.874 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -96.29 -35.75 11.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.208 -0.933 . . . . 0.0 108.77 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' B' ' 91' ' ' GLU . 8.6 tp10 -90.74 69.68 6.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.372 -0.83 . . . . 0.0 109.552 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -72.03 53.66 0.26 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.923 . . . . 0.0 109.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 89' ' ' GLU . 8.0 pt-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.458 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.8 p -80.11 167.67 20.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.221 -0.924 . . . . 0.0 109.314 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.47 -33.34 59.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.181 -0.949 . . . . 0.0 109.112 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.5 tt -62.22 -50.6 71.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.767 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.22 -48.7 70.78 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.934 -1.104 . . . . 0.0 109.549 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.47 -41.03 28.45 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.748 0.785 . . . . 0.0 109.758 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.14 -29.42 48.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.798 -0.564 . . . . 0.0 111.237 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -48.44 79.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.398 -1.439 . . . . 0.0 107.987 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.03 -36.7 77.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.183 -0.948 . . . . 0.0 109.117 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.28 79.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.141 -0.974 . . . . 0.0 108.572 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.51 -41.13 13.69 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.987 . . . . 0.0 109.328 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.93 -41.79 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.4 m-20 -52.76 -51.09 62.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.6 -0.688 . . . . 0.0 110.368 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.82 -44.98 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.434 -0.791 . . . . 0.0 111.016 -178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -54.99 -34.24 63.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.384 -1.448 . . . . 0.0 108.731 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 13.5 t-160 -78.87 -31.17 45.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.558 -0.714 . . . . 0.0 109.977 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -55.55 -45.37 77.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.28 -0.887 . . . . 0.0 110.206 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -71.85 -44.47 63.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.949 -1.095 . . . . 0.0 109.315 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -99.68 58.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.389 -0.819 . . . . 0.0 110.084 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.42 -9.8 12.5 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -65.73 -37.66 87.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' ASP . 35.0 mm-40 -143.18 -44.4 0.29 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.84 -1.163 . . . . 0.0 109.628 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.78 12.98 0.15 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' GLU . 28.8 t70 -48.94 -56.31 9.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.248 . . . . 0.0 108.515 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -90.45 157.65 17.47 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -107.44 45.86 0.97 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.96 51.88 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -125.72 142.38 51.54 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -92.71 156.67 16.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.011 -1.055 . . . . 0.0 109.654 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.64 -40.07 93.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.144 -0.973 . . . . 0.0 110.589 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.27 -41.0 87.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.169 -0.957 . . . . 0.0 111.147 -178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -77.39 -33.5 55.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.046 -1.034 . . . . 0.0 109.037 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.11 -43.51 98.25 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.26 -56.82 14.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.497 -1.377 . . . . 0.0 109.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -49.06 -36.82 19.27 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.168 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 8.9 tp -67.91 -45.25 74.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 109.307 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -54.14 -34.01 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.88 -1.138 . . . . 0.0 109.618 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.67 -30.21 67.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.944 . . . . 0.0 111.874 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -107.56 -0.27 22.18 Favored 'General case' 0 N--CA 1.505 2.275 0 O-C-N 121.001 -1.062 . . . . 0.0 111.404 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 35' ' ' LEU . 3.7 mp0 -118.12 -21.99 7.98 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.1 -1.0 . . . . 0.0 110.163 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 mt -120.26 24.49 10.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.339 -0.851 . . . . 0.0 109.412 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.78 -22.83 61.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 109.782 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -70.41 -49.71 46.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.077 -1.015 . . . . 0.0 109.725 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.6 -19.05 60.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 109.468 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 tp -49.58 -32.1 11.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.209 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -82.92 -30.67 28.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.093 -1.004 . . . . 0.0 110.376 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.16 70.84 7.29 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.123 -0.986 . . . . 0.0 110.987 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.0 mt -126.82 110.24 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.353 -0.842 . . . . 0.0 109.348 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.15 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -86.82 106.94 18.07 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 10.0 pt20 -81.1 -19.07 44.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 111.201 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.72 -23.49 62.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.897 -1.127 . . . . 0.0 111.296 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.8 -45.67 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.406 -1.434 . . . . 0.0 108.566 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.26 -34.89 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 120.69 -1.256 . . . . 0.0 108.964 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 50' ' ' GLN . 61.0 m-20 -57.84 -40.11 79.3 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.279 -0.888 . . . . 0.0 109.951 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -70.84 -27.58 63.96 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.954 -1.091 . . . . 0.0 109.981 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.56 -55.58 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.616 -1.302 . . . . 0.0 108.0 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.44 -28.91 21.91 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.643 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -88.3 -37.56 15.89 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.0 -1.062 . . . . 0.0 109.236 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -69.17 -39.24 78.86 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' GLU . 13.5 tp -69.73 -57.5 5.05 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.866 -1.146 . . . . 0.0 108.177 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.88 -18.01 0.24 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.081 -1.012 . . . . 0.0 109.352 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 60' ' ' LEU . 92.4 mt-10 -102.37 42.39 1.15 Allowed 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 122.209 1.004 . . . . 0.0 109.364 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.579 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.7 t0 -44.09 -38.95 3.91 Favored 'General case' 0 C--N 1.275 -2.663 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.94 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.42 -5.78 0.01 OUTLIER Glycine 0 N--CA 1.495 2.599 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.759 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -108.84 -8.76 15.25 Favored 'General case' 0 N--CA 1.513 2.689 0 CA-C-N 119.181 1.49 . . . . 0.0 112.427 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.35 2.33 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 119.595 -1.941 . . . . 0.0 110.562 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -146.52 130.82 17.54 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.033 -1.275 . . . . 0.0 109.839 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.62 125.45 49.36 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.186 -0.946 . . . . 0.0 108.834 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -84.38 -173.5 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.192 -0.942 . . . . 0.0 110.315 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.72 -28.21 60.7 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.05 -39.13 89.87 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.898 -1.126 . . . . 0.0 108.671 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.67 -23.14 62.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.213 -0.929 . . . . 0.0 109.387 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 77' ' ' VAL . 32.2 t80 -76.02 -41.7 50.16 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.5 -0.75 . . . . 0.0 109.346 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.04 -55.8 14.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.083 -1.636 . . . . 0.0 108.496 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.9 -42.83 59.55 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.344 -1.473 . . . . 0.0 110.728 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.85 -37.89 70.17 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.742 -1.224 . . . . 0.0 109.994 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 73' ' ' PHE . 25.2 t -60.18 -33.72 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.055 -1.028 . . . . 0.0 108.776 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -70.69 -51.17 29.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.559 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 59.6 mtp -49.39 -39.4 32.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.102 -0.998 . . . . 0.0 110.522 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.8 t -73.93 -45.18 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -0.979 . . . . 0.0 109.562 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -71.36 -45.68 62.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 109.385 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -71.26 -21.29 62.12 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.482 -0.762 . . . . 0.0 110.368 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 79' ' ' MET . . . -54.61 -43.67 72.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.002 -1.061 . . . . 0.0 108.746 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 86' ' ' GLU . 27.3 p -88.96 73.72 8.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.343 -0.848 . . . . 0.0 109.154 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -49.12 -11.54 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.219 -0.926 . . . . 0.0 109.517 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 84' ' ' CYS . 26.1 tt0 -74.38 6.0 4.08 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.235 -0.916 . . . . 0.0 109.509 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -65.52 -27.8 68.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.963 -1.086 . . . . 0.0 109.452 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -34.84 63.2 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -99.62 80.94 2.42 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -82.77 115.01 21.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.477 179.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 83.9 p -80.17 167.67 20.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.186 -0.946 . . . . 0.0 109.225 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.49 -33.31 59.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.173 -0.954 . . . . 0.0 109.087 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.464 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.5 tt -62.19 -50.6 71.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.442 -0.786 . . . . 0.0 109.772 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -54.31 -48.6 71.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 109.503 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -48.52 -41.05 28.96 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.752 0.787 . . . . 0.0 109.778 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.06 -29.49 49.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.764 -0.585 . . . . 0.0 111.287 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -48.44 79.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.376 -1.453 . . . . 0.0 108.026 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.421 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.8 t -67.05 -36.64 77.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.181 -0.949 . . . . 0.0 109.161 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.62 -48.2 80.09 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.186 -0.946 . . . . 0.0 108.574 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.59 -41.07 13.93 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.06 -1.025 . . . . 0.0 109.333 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -65.02 -41.74 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' B' ' 12' ' ' ASP . 2.4 m-20 -52.69 -51.15 61.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.585 -0.697 . . . . 0.0 110.359 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.79 -44.98 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.36 -0.837 . . . . 0.0 110.992 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.99 -34.3 63.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.354 -1.466 . . . . 0.0 108.714 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 15' ' ' HIS . 13.5 t-160 -78.79 -31.24 45.92 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.598 -0.689 . . . . 0.0 109.941 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -55.52 -45.31 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 110.224 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -71.86 -44.58 63.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.939 -1.101 . . . . 0.0 109.253 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -99.6 58.73 1.07 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.36 -0.838 . . . . 0.0 110.111 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.38 -9.84 12.5 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 107.574 -2.21 . . . . 0.0 107.574 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -65.71 -37.68 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.71 -0.877 . . . . 0.0 109.188 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 23' ' ' ASP . 35.1 mm-40 -143.11 -44.42 0.29 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.764 -1.21 . . . . 0.0 109.653 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.75 12.97 0.15 Allowed Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' B' ' 21' ' ' GLU . 28.8 t70 -48.95 -56.3 9.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.104 -1.233 . . . . 0.0 108.502 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -90.4 157.6 17.52 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -107.4 45.82 0.97 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -132.77 151.97 51.88 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -125.69 142.34 51.56 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -92.69 156.7 16.89 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.031 -1.043 . . . . 0.0 109.648 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -61.66 -40.08 93.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.166 -0.959 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -59.32 -40.94 87.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.257 -0.902 . . . . 0.0 111.136 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -77.3 -33.56 55.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.038 . . . . 0.0 109.069 -179.116 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.14 -43.48 98.23 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -54.23 -56.85 14.3 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.471 -1.393 . . . . 0.0 109.029 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -49.13 -36.8 20.05 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.14 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 8.9 tp -67.91 -45.21 75.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.073 -1.017 . . . . 0.0 109.298 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.16 -34.04 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.87 -1.144 . . . . 0.0 109.614 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -69.66 -30.21 67.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.166 -0.959 . . . . 0.0 111.874 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -107.52 -0.33 22.2 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.046 -1.034 . . . . 0.0 111.412 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 35' ' ' LEU . 3.7 mp0 -118.13 -22.01 7.97 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.027 -1.046 . . . . 0.0 110.15 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.3 mt -120.23 24.45 10.41 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.326 -0.859 . . . . 0.0 109.466 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 34.4 t -71.66 -22.99 61.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.36 -0.838 . . . . 0.0 109.754 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -70.34 -49.59 47.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.084 -1.01 . . . . 0.0 109.773 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.7 -19.06 60.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.14 -0.975 . . . . 0.0 109.414 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.4 tp -49.55 -32.14 11.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.332 -0.855 . . . . 0.0 110.242 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -82.85 -30.75 28.41 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.12 -0.987 . . . . 0.0 110.362 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -90.14 70.8 7.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.055 -1.028 . . . . 0.0 111.035 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 61.9 mt -126.78 110.18 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.377 -0.827 . . . . 0.0 109.347 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -84.14 -57.49 3.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.053 . . . . 0.0 108.227 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.79 106.87 17.99 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.405 ' O ' ' OD2' ' B' ' 54' ' ' ASP . 10.0 pt20 -81.1 -18.98 44.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.986 -1.071 . . . . 0.0 111.236 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -70.76 -23.43 62.42 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.849 -1.157 . . . . 0.0 111.336 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.84 -45.62 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.401 -1.437 . . . . 0.0 108.596 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.31 -34.82 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.674 -1.266 . . . . 0.0 108.983 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' B' ' 50' ' ' GLN . 60.9 m-20 -57.86 -40.13 79.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -70.82 -27.6 63.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.938 -1.101 . . . . 0.0 109.938 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.57 -55.63 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.531 -1.355 . . . . 0.0 107.989 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.6 mmt -52.35 -28.96 21.46 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.359 -0.838 . . . . 0.0 109.67 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -88.33 -37.6 15.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.979 -1.076 . . . . 0.0 109.183 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.4 m -69.17 -39.23 78.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' B' ' 62' ' ' GLU . 13.4 tp -69.74 -57.49 5.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.947 -1.095 . . . . 0.0 108.178 177.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -48.83 -18.02 0.24 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.083 -1.01 . . . . 0.0 109.332 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' B' ' 60' ' ' LEU . 92.4 mt-10 -102.42 42.54 1.14 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.26 1.029 . . . . 0.0 109.629 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' B' ' 65' ' ' ASP . 31.1 t0 -44.01 -39.1 3.89 Favored 'General case' 0 C--N 1.275 -2.66 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.518 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.28 -5.83 0.01 OUTLIER Glycine 0 N--CA 1.491 2.31 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.949 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.9 OUTLIER -108.84 -8.64 15.27 Favored 'General case' 0 N--CA 1.509 2.484 0 CA-C-N 119.078 1.439 . . . . 0.0 112.47 -179.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.65 -29.38 2.33 Favored Glycine 0 N--CA 1.492 2.368 0 O-C-N 119.561 -1.962 . . . . 0.0 110.499 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -146.52 130.79 17.51 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.989 -1.3 . . . . 0.0 109.789 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 58.8 m -102.69 125.48 49.44 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.19 -0.943 . . . . 0.0 108.838 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -84.38 -173.51 4.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -0.931 . . . . 0.0 110.258 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -74.76 -28.23 60.67 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -66.03 -39.13 89.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.849 -1.157 . . . . 0.0 108.694 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -23.16 62.49 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.196 -0.94 . . . . 0.0 109.386 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.546 ' O ' HG23 ' B' ' 77' ' ' VAL . 32.0 t80 -76.07 -41.64 49.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.459 -0.775 . . . . 0.0 109.327 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mmt -65.98 -55.89 14.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.072 -1.642 . . . . 0.0 108.539 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.75 59.96 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.313 -1.492 . . . . 0.0 110.752 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.86 -37.87 70.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.779 -1.2 . . . . 0.0 110.009 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 73' ' ' PHE . 25.2 t -60.22 -33.67 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.086 -1.009 . . . . 0.0 108.812 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.8 t -70.71 -51.21 28.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.14 -0.975 . . . . 0.0 110.091 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' B' ' 83' ' ' ALA . 59.6 mtp -49.33 -39.4 31.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.097 -1.002 . . . . 0.0 110.55 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 82.9 t -73.97 -45.12 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.076 -1.015 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.0 m -71.37 -45.79 62.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 109.347 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.5 p -71.14 -21.31 62.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.49 -0.757 . . . . 0.0 110.396 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 79' ' ' MET . . . -54.66 -43.58 72.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.951 -1.093 . . . . 0.0 108.765 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' B' ' 86' ' ' GLU . 27.3 p -89.05 73.72 8.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.348 -0.845 . . . . 0.0 109.156 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -49.12 -11.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.533 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 84' ' ' CYS . 26.2 tt0 -74.43 6.04 4.09 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.238 -0.914 . . . . 0.0 109.453 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -65.42 -27.86 68.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.876 -1.14 . . . . 0.0 109.451 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -34.83 63.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -99.62 80.98 2.43 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.466 -0.771 . . . . 0.0 108.936 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -82.86 114.96 21.52 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.185 -0.947 . . . . 0.0 109.488 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.928 -1.034 . . . . 0.0 109.446 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 0' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 p -69.33 168.93 13.27 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.136 -0.977 . . . . 0.0 109.129 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.45 -34.76 71.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -0.934 . . . . 0.0 109.617 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 3' ' ' LEU . 2.6 tt -61.68 -52.78 62.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 0.0 109.811 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.83 -47.59 64.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.098 . . . . 0.0 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.64 -41.96 32.79 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.664 0.745 . . . . 0.0 109.897 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.808 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.98 -29.46 43.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.702 -0.624 . . . . 0.0 111.097 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.14 -48.59 79.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.353 -1.467 . . . . 0.0 108.214 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.07 -36.26 74.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.527 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.26 76.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 108.702 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.74 -45.11 19.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.243 -0.911 . . . . 0.0 108.984 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.64 -42.53 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.36 -51.91 31.65 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.588 0.709 . . . . 0.0 109.994 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -76.61 -45.26 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.577 -0.702 . . . . 0.0 111.253 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.15 -32.61 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.306 -1.496 . . . . 0.0 108.799 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 15' ' ' HIS . 16.1 t-80 -79.8 -31.34 40.71 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.566 -0.709 . . . . 0.0 109.92 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.522 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 19.6 tm0? -54.7 -45.0 73.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.842 . . . . 0.0 109.86 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 15.1 m-85 -71.93 -48.21 47.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.002 -1.061 . . . . 0.0 108.922 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.6 p -98.61 59.98 1.29 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.415 -0.803 . . . . 0.0 109.948 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.14 -13.27 7.13 Favored Glycine 0 N--CA 1.501 2.973 0 N-CA-C 107.692 -2.163 . . . . 0.0 107.692 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.32 -30.18 71.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.488 -1.007 . . . . 0.0 109.035 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' ASP . 43.4 mt-10 -147.48 -45.18 0.17 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.693 -1.255 . . . . 0.0 110.037 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.28 13.34 0.12 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.5 t70 -49.08 -57.22 6.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -1.231 . . . . 0.0 108.607 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' CB ' ' NZ ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -89.95 161.17 16.03 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.19 45.86 1.23 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -133.04 149.04 52.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.771 -0.581 . . . . 0.0 109.615 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.2 142.74 50.98 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -92.68 156.66 16.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 109.63 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -61.08 -39.98 91.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 110.435 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -57.8 -40.41 79.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.292 -0.88 . . . . 0.0 111.019 -178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -79.94 -33.47 39.65 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.956 -1.09 . . . . 0.0 108.658 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.6 tt -60.94 -45.0 96.44 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -52.11 -56.72 12.67 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.265 -1.522 . . . . 0.0 109.034 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.04 -35.67 11.56 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.785 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.54 -39.57 88.63 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.702 -1.249 . . . . 0.0 109.292 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.7 mt -61.16 -35.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.716 -1.24 . . . . 0.0 109.611 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -66.28 -32.78 74.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 111.68 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -108.88 -18.26 13.73 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.101 -1.0 . . . . 0.0 111.334 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 40' ' ' LEU . 80.1 mm-40 -96.36 -28.12 14.62 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.829 -1.169 . . . . 0.0 110.752 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 39' ' ' GLU . 7.4 mp -115.3 29.74 7.82 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.407 -0.808 . . . . 0.0 108.979 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.73 -25.15 61.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 110.205 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.69 -41.11 65.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.114 . . . . 0.0 109.568 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -72.76 -18.52 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.0 109.469 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.6 tp -46.35 -34.91 4.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.306 -0.871 . . . . 0.0 110.191 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.76 -29.95 29.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.146 -0.971 . . . . 0.0 110.455 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 4.3 mm-40 -92.18 60.37 3.71 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.188 -0.945 . . . . 0.0 111.136 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.56 116.64 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 121.243 -0.911 . . . . 0.0 109.075 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.78 -46.92 5.49 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.224 -0.922 . . . . 0.0 109.322 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.14 64.86 7.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 0.0 109.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.28 -24.76 0.31 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.258 -0.901 . . . . 0.0 110.236 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.17 -22.78 57.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.107 -0.995 . . . . 0.0 110.431 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.53 -48.79 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.66 -1.275 . . . . 0.0 108.093 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.16 -32.09 56.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.85 -1.156 . . . . 0.0 108.723 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.03 -45.01 94.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.347 -0.846 . . . . 0.0 110.065 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -67.27 -26.41 66.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.026 -1.046 . . . . 0.0 109.964 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.33 -56.42 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 108.6 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -28.41 24.78 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.319 -0.863 . . . . 0.0 109.919 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.97 -34.68 20.77 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.921 -1.112 . . . . 0.0 109.568 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.17 -41.88 76.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.675 -1.265 . . . . 0.0 108.201 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.03 -56.95 12.58 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.681 -1.262 . . . . 0.0 108.362 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -50.49 -21.67 1.6 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.097 -1.002 . . . . 0.0 108.99 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -104.07 41.4 1.3 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 122.155 0.979 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' A' ' 65' ' ' ASP . 35.9 t0 -44.03 -38.7 3.69 Favored 'General case' 0 C--N 1.274 -2.691 0 CA-C-O 121.596 0.712 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.91 -8.88 0.01 OUTLIER Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.39 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.8 m-20 -107.57 -8.67 16.11 Favored 'General case' 0 N--CA 1.512 2.638 0 CA-C-N 118.974 1.387 . . . . 0.0 112.272 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.82 -30.07 2.33 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 119.717 -1.864 . . . . 0.0 110.611 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -147.32 131.6 17.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.952 -1.323 . . . . 0.0 109.88 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.3 m -104.01 126.51 51.18 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.207 -0.933 . . . . 0.0 108.866 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 21.4 t70 -82.49 -173.95 4.89 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.22 -0.925 . . . . 0.0 110.6 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.468 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 17.1 t80 -74.66 -27.75 60.56 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.2 -34.63 78.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 109.11 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.93 -23.2 60.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.03 -1.043 . . . . 0.0 110.086 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 77' ' ' VAL . 72.6 t80 -73.34 -39.83 64.91 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.966 -1.084 . . . . 0.0 109.709 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.7 mmm -69.33 -53.79 17.83 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 120.127 -1.608 . . . . 0.0 109.519 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.88 -52.59 62.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.229 -1.544 . . . . 0.0 111.168 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.75 -34.27 76.87 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.672 -1.267 . . . . 0.0 109.363 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 73' ' ' PHE . 14.3 t -66.33 -33.07 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.892 . . . . 0.0 109.093 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.84 -50.56 41.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.063 -1.023 . . . . 0.0 110.033 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.2 mtp -50.68 -38.26 45.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.134 -0.979 . . . . 0.0 110.703 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.7 -47.61 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.979 -1.076 . . . . 0.0 109.876 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 p -67.81 -39.66 83.92 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.143 -0.973 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.8 p -71.09 -22.4 62.1 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.62 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.09 72.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.138 -0.976 . . . . 0.0 108.833 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 5.7 m -75.73 82.0 2.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.284 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.514 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 1.9 m-70 -47.02 -19.09 0.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.585 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' CYS . 14.9 pt-20 -83.26 20.4 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -59.53 -31.98 69.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.108 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 1.5 m-85 -94.26 -34.67 12.77 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -96.56 68.33 2.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.851 . . . . 0.0 109.373 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.522 ' NE2' ' O ' ' A' ' 87' ' ' PHE . 58.8 m-70 -58.77 134.46 56.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.425 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.007 -0.996 . . . . 0.0 109.545 -179.838 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' B' ' 0' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.1 p -69.26 168.84 13.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.139 -0.976 . . . . 0.0 109.129 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.51 -34.68 71.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.224 -0.923 . . . . 0.0 109.591 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 3' ' ' LEU . 2.6 tt -61.62 -52.82 62.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.817 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.92 -47.49 64.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.015 -1.053 . . . . 0.0 109.43 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -48.62 -42.02 32.88 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.714 0.769 . . . . 0.0 109.915 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.808 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.89 -29.48 44.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.645 -0.659 . . . . 0.0 111.079 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpt -62.18 -48.53 79.63 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.378 -1.451 . . . . 0.0 108.233 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.12 -36.23 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.25 76.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.012 -1.055 . . . . 0.0 108.709 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mt -46.71 -45.21 19.37 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 108.931 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 21.1 mm -61.56 -42.59 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -49.29 -51.91 30.88 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.565 0.697 . . . . 0.0 110.052 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.64 -45.26 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.643 -0.661 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.13 -32.62 36.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.334 -1.479 . . . . 0.0 108.844 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.424 ' O ' ' ND1' ' B' ' 15' ' ' HIS . 16.1 t-80 -79.86 -31.33 40.43 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.579 -0.7 . . . . 0.0 109.933 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.518 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 19.6 tm0? -54.66 -44.98 73.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.273 -0.892 . . . . 0.0 109.86 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 15.1 m-85 -71.96 -48.21 46.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.035 -1.04 . . . . 0.0 108.915 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 70.5 p -98.55 59.95 1.3 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.399 -0.813 . . . . 0.0 109.954 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.12 -13.42 7.07 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 107.709 -2.156 . . . . 0.0 107.709 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -64.28 -30.12 71.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.501 -1.0 . . . . 0.0 109.075 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 23' ' ' ASP . 43.5 mt-10 -147.5 -45.26 0.17 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.593 -1.317 . . . . 0.0 110.032 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.25 13.37 0.12 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' B' ' 21' ' ' GLU . 12.5 t70 -49.13 -57.18 7.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.249 . . . . 0.0 108.576 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -89.97 161.17 16.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -112.14 45.83 1.23 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -133.02 149.08 52.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.803 -0.561 . . . . 0.0 109.62 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 68' ' ' CYS . 10.8 tp -124.23 142.72 51.01 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -92.68 156.57 16.98 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.008 -1.057 . . . . 0.0 109.673 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -61.05 -39.96 91.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.327 -0.858 . . . . 0.0 110.436 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 m -57.83 -40.41 79.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.889 . . . . 0.0 111.017 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -79.95 -33.39 39.63 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.018 -1.073 . . . . 0.0 108.704 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.561 ' O ' HD23 ' B' ' 32' ' ' LEU . 3.6 tt -60.98 -45.0 96.54 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HZ3' ' HA ' ' B' ' 61' ' ' ASP . 56.9 mttp -52.17 -56.71 12.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 120.349 -1.47 . . . . 0.0 109.035 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -48.1 -35.66 11.78 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.746 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.5 -39.57 88.76 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.754 -1.216 . . . . 0.0 109.323 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.22 -35.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.769 -1.207 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -66.33 -32.74 74.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 0.0 111.634 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -108.91 -18.29 13.72 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.053 -1.029 . . . . 0.0 111.328 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.476 ' O ' HD12 ' B' ' 40' ' ' LEU . 80.1 mm-40 -96.33 -28.11 14.65 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.816 -1.178 . . . . 0.0 110.729 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.4 mp -115.32 29.79 7.78 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.347 -0.846 . . . . 0.0 108.945 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t -72.8 -25.07 61.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.3 -0.875 . . . . 0.0 110.237 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -72.72 -41.1 65.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.963 -1.086 . . . . 0.0 109.597 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -72.76 -18.51 61.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.186 -0.947 . . . . 0.0 109.444 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -46.39 -34.8 4.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.294 -0.879 . . . . 0.0 110.27 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -82.81 -30.02 29.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 110.379 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 4.3 mm-40 -92.06 60.28 3.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.18 -0.95 . . . . 0.0 111.187 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 79.2 mt -126.49 116.61 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.247 -0.908 . . . . 0.0 109.116 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -98.85 -46.84 5.5 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.135 -0.978 . . . . 0.0 109.306 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -82.13 64.8 6.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.88 . . . . 0.0 109.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -45.25 -24.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.355 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.27 -22.74 57.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -0.999 . . . . 0.0 110.383 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.1 t -75.52 -48.75 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.69 -1.256 . . . . 0.0 108.125 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 78.8 t -64.27 -32.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 120.879 -1.138 . . . . 0.0 108.759 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 110.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -67.21 -26.46 66.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.002 -1.061 . . . . 0.0 109.947 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -56.33 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 120.677 -1.265 . . . . 0.0 108.612 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -28.47 25.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 0.0 109.853 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -85.92 -34.8 20.83 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.918 -1.114 . . . . 0.0 109.518 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.5 m -69.08 -41.85 76.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.667 -1.271 . . . . 0.0 108.278 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.07 -56.93 12.72 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.689 -1.257 . . . . 0.0 108.341 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.401 ' HA ' ' HZ3' ' B' ' 33' ' ' LYS . 38.2 t70 -50.44 -21.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.158 -0.964 . . . . 0.0 108.992 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -104.03 41.47 1.29 Allowed 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 122.172 0.987 . . . . 0.0 109.596 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.591 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.0 t0 -43.9 -38.93 3.65 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.856 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 54.83 -8.96 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.591 ' H ' ' C ' ' B' ' 63' ' ' ASP . 1.8 m-20 -107.55 -8.74 16.1 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 120.85 -1.383 . . . . 0.0 112.35 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.85 -30.04 2.34 Favored Glycine 0 N--CA 1.492 2.402 0 O-C-N 119.607 -1.933 . . . . 0.0 110.612 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -147.34 131.69 17.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.903 -1.351 . . . . 0.0 109.815 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' B' ' 27' ' ' LEU . 23.1 m -104.03 126.43 51.14 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 21.3 t70 -82.43 -173.97 4.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.146 -0.971 . . . . 0.0 110.623 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.473 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 17.2 t80 -74.62 -27.81 60.61 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.17 -34.55 78.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.049 . . . . 0.0 109.175 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -73.0 -23.13 60.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.997 -1.064 . . . . 0.0 110.042 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.6 ' O ' HG23 ' B' ' 77' ' ' VAL . 72.6 t80 -73.41 -39.81 64.75 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.937 -1.102 . . . . 0.0 109.657 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 72.8 mmm -69.41 -53.74 17.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.12 -1.613 . . . . 0.0 109.476 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.54 62.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.248 -1.533 . . . . 0.0 111.12 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -62.76 -34.28 76.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.696 -1.253 . . . . 0.0 109.356 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 73' ' ' PHE . 14.4 t -66.34 -33.1 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.283 -0.886 . . . . 0.0 109.07 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -69.83 -50.58 41.43 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.151 -0.968 . . . . 0.0 110.031 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 73.3 mtp -50.66 -38.22 45.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.127 -0.983 . . . . 0.0 110.706 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.79 -47.57 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.891 -1.131 . . . . 0.0 109.851 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.4 p -67.82 -39.77 83.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.181 -0.95 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 37.9 p -71.05 -22.38 62.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.05 72.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -0.977 . . . . 0.0 108.8 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 5.8 m -75.79 82.05 2.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 109.305 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.486 ' ND1' ' N ' ' B' ' 85' ' ' HIS . 1.9 m-70 -46.99 -19.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 109.495 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 84' ' ' CYS . 14.9 pt-20 -83.31 20.48 1.3 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 0.0 109.534 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.617 ' CZ ' ' CD1' ' B' ' 88' ' ' PHE . 0.3 OUTLIER -59.52 -31.97 69.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 109.118 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' B' ' 87' ' ' PHE . 1.5 m-85 -94.28 -34.67 12.75 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -96.49 68.25 2.5 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.466 -0.772 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' B' ' 87' ' ' PHE . 58.8 m-70 -58.7 134.52 56.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.014 -0.994 . . . . 0.0 109.562 -179.861 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.698 ' H3 ' ' CD ' ' A' ' 4' ' ' GLU . 32.4 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.5 p -75.73 168.79 19.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 0.0 109.372 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.88 -37.45 84.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.042 -1.036 . . . . 0.0 109.437 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -64.62 -49.94 69.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.915 . . . . 0.0 108.994 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.698 ' CD ' ' H3 ' ' A' ' 0' ' ' MET . 73.6 tt0 -51.0 -46.64 61.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.196 -0.94 . . . . 0.0 108.963 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.06 -41.27 47.55 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.709 0.766 . . . . 0.0 109.912 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -76.8 -29.41 55.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.787 -0.571 . . . . 0.0 111.182 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.34 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.448 -1.408 . . . . 0.0 107.894 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -67.76 -36.81 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.26 -0.9 . . . . 0.0 109.214 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.51 -48.38 81.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.172 -0.955 . . . . 0.0 108.633 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 16.5 mt -45.08 -42.48 8.69 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.346 -0.847 . . . . 0.0 108.836 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.24 -39.6 85.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ALA . 25.1 t70 -50.95 -53.61 31.49 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.635 0.731 . . . . 0.0 109.788 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.61 -46.77 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.621 -0.675 . . . . 0.0 110.991 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -53.33 -34.62 58.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.385 -1.447 . . . . 0.0 109.377 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.92 -29.65 32.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 110.327 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -53.23 -44.7 68.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.208 -0.933 . . . . 0.0 109.345 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -74.06 -41.95 60.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.001 -1.062 . . . . 0.0 109.072 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 79.3 p -97.25 60.8 1.68 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.265 -0.897 . . . . 0.0 110.203 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.15 -9.3 8.86 Favored Glycine 0 N--CA 1.502 3.086 0 N-CA-C 107.806 -2.118 . . . . 0.0 107.806 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.48 -32.36 73.68 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.463 -1.022 . . . . 0.0 109.315 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' ASP . 21.8 mp0 -147.63 -43.69 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.57 -1.331 . . . . 0.0 109.853 178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.59 13.12 0.24 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' GLU . 48.6 t0 -49.17 -61.48 2.05 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.203 -1.174 . . . . 0.0 108.451 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.41 12.32 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 45.5 p-80 -116.56 48.63 1.25 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -130.63 148.9 52.48 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.56 142.83 51.05 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.8 153.43 18.3 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.921 -1.112 . . . . 0.0 109.823 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.565 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -57.38 -39.33 75.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.188 -0.945 . . . . 0.0 110.207 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.0 m -60.26 -40.34 89.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 110.919 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.72 -34.04 64.63 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.329 -0.949 . . . . 0.0 109.276 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -65.84 -43.22 89.16 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -51.01 -57.71 7.93 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.533 -1.355 . . . . 0.0 108.739 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -50.03 -36.23 28.0 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.389 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.68 -46.54 72.05 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.786 -1.196 . . . . 0.0 109.454 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.9 mt -53.71 -36.42 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.669 -1.269 . . . . 0.0 109.55 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -63.48 -42.18 98.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.377 -0.827 . . . . 0.0 111.323 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 22.5 t-20 -98.4 -18.72 18.13 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.033 -1.042 . . . . 0.0 111.309 -178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -93.33 -29.41 15.65 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.766 -1.209 . . . . 0.0 110.723 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.78 30.14 7.43 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -68.67 -28.56 66.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.432 ' CG ' ' OE2' ' B' ' 4' ' ' GLU . 50.3 t-80 -74.17 -50.81 17.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.918 -1.114 . . . . 0.0 109.656 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -61.18 -28.7 69.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -46.72 -30.86 2.59 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.423 -0.798 . . . . 0.0 109.438 -179.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -77.4 -37.16 52.55 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.01 -1.056 . . . . 0.0 109.398 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.25 59.67 4.49 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.284 -0.885 . . . . 0.0 110.01 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.94 110.61 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.94 -55.99 3.41 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.995 -1.066 . . . . 0.0 109.138 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 47.9 mp0 -75.45 106.37 6.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 0.0 109.488 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -82.36 -24.28 34.58 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.057 -1.027 . . . . 0.0 109.439 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.51 -22.22 59.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.302 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.17 -51.51 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.751 -1.218 . . . . 0.0 108.565 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -33.23 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.905 -1.122 . . . . 0.0 109.08 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.88 -42.92 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.283 -0.885 . . . . 0.0 109.964 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.22 -26.59 63.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.108 -0.995 . . . . 0.0 110.112 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.78 -56.59 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.793 -1.192 . . . . 0.0 108.239 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.414 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 20.1 mtt -55.15 -26.18 36.95 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.4 -0.813 . . . . 0.0 109.916 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.96 -35.17 20.61 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.095 -1.003 . . . . 0.0 109.053 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -69.83 -43.53 71.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.691 -1.256 . . . . 0.0 107.842 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' GLU . 72.0 mt -61.79 -57.77 10.58 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.705 -1.247 . . . . 0.0 107.994 177.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -49.38 -20.23 0.65 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.154 -0.967 . . . . 0.0 108.93 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' LEU . 94.5 mt-10 -103.52 42.64 1.15 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 122.236 1.017 . . . . 0.0 109.02 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 65' ' ' ASP . 35.5 t0 -43.31 -35.93 1.67 Allowed 'General case' 0 C--N 1.276 -2.622 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.601 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.36 -10.8 0.01 OUTLIER Glycine 0 N--CA 1.495 2.607 0 O-C-N 122.009 -0.432 . . . . 0.0 112.429 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -106.52 -31.33 8.57 Favored 'General case' 0 N--CA 1.515 2.789 0 CA-C-N 119.444 1.622 . . . . 0.0 112.116 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.61 -26.9 21.94 Favored Glycine 0 N--CA 1.501 2.98 0 O-C-N 119.924 -1.735 . . . . 0.0 109.053 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.5 129.42 13.42 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.084 -1.245 . . . . 0.0 109.913 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.85 127.82 49.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.265 -0.897 . . . . 0.0 109.432 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.74 5.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.432 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 29.5 t80 -75.5 -31.07 60.05 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.36 -0.838 . . . . 0.0 109.156 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.72 -36.85 74.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.951 -1.093 . . . . 0.0 109.055 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.4 -21.97 61.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 109.603 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 77' ' ' VAL . 46.1 t80 -75.58 -40.94 55.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.294 -0.879 . . . . 0.0 109.622 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.15 -47.5 67.88 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.197 -1.564 . . . . 0.0 109.119 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.26 17.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.222 -1.549 . . . . 0.0 111.576 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -58.1 -37.78 75.2 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.574 -1.329 . . . . 0.0 109.891 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 73' ' ' PHE . 40.2 t -63.3 -31.47 52.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 108.742 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.94 -50.45 41.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.0 109.747 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.9 mmm -49.84 -39.03 37.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.72 -50.54 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.006 -1.059 . . . . 0.0 109.394 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.3 m -57.94 -41.82 83.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.112 -0.992 . . . . 0.0 108.706 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -73.95 -20.96 60.2 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.906 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' O ' ' OE1' ' A' ' 49' ' ' GLU . . . -56.89 -27.16 60.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.152 -0.968 . . . . 0.0 109.476 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 85' ' ' HIS . 14.4 p -74.13 146.49 43.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.266 -0.896 . . . . 0.0 109.343 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' CYS . 1.2 p80 -47.97 174.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.323 -0.861 . . . . 0.0 109.701 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -45.85 97.74 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.298 -0.876 . . . . 0.0 109.745 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.62 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 25.3 p90 -64.84 -25.16 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.307 -0.871 . . . . 0.0 109.778 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.62 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 25.6 m-85 -50.85 -32.66 20.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.975 -1.078 . . . . 0.0 108.756 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -100.14 50.69 0.9 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.546 -0.721 . . . . 0.0 109.32 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -62.13 146.05 51.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.187 -0.946 . . . . 0.0 109.367 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.405 ' CD ' ' N ' ' A' ' 91' ' ' GLU . 1.3 mp0 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.115 -0.991 . . . . 0.0 109.368 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.726 ' H3 ' ' CD ' ' B' ' 4' ' ' GLU . 32.3 mtp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p -75.82 168.86 19.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.254 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.81 -37.55 84.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 0.0 109.425 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.48 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.1 tt -64.51 -49.98 69.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.024 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.726 ' CD ' ' H3 ' ' B' ' 0' ' ' MET . 73.5 tt0 -51.01 -46.55 61.58 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.929 . . . . 0.0 108.984 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -50.12 -41.31 48.34 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.765 0.793 . . . . 0.0 109.889 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.55 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -76.83 -29.36 55.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.776 -0.577 . . . . 0.0 111.153 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -49.27 73.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.459 -1.401 . . . . 0.0 107.88 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.83 -36.79 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.169 -0.957 . . . . 0.0 109.199 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.949 . . . . 0.0 108.606 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' B' ' 9' ' ' ALA . 16.6 mt -45.13 -42.44 8.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.314 -0.866 . . . . 0.0 108.859 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' B' ' 9' ' ' ALA . 25.1 t70 -50.99 -53.62 31.63 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.62 0.724 . . . . 0.0 109.811 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.56 -46.74 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.624 -0.673 . . . . 0.0 110.994 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.37 -34.59 58.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.372 -1.455 . . . . 0.0 109.372 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.93 -29.66 32.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 110.334 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.14 -44.8 68.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.291 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -74.13 -41.96 60.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.026 -1.046 . . . . 0.0 109.026 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 79.2 p -97.18 60.81 1.7 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.252 -0.905 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.21 -9.28 8.83 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -66.38 -32.46 73.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.422 -1.046 . . . . 0.0 109.348 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 23' ' ' ASP . 21.8 mp0 -147.6 -43.73 0.17 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.613 -1.304 . . . . 0.0 109.899 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.58 13.07 0.24 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 21' ' ' GLU . 48.6 t0 -49.1 -61.52 2.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.127 -1.22 . . . . 0.0 108.4 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -89.18 168.38 12.35 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 45.5 p-80 -116.45 48.51 1.26 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -130.59 148.92 52.44 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.6 142.75 51.13 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -93.73 153.47 18.32 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.899 -1.126 . . . . 0.0 109.87 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.562 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -57.45 -39.3 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.403 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 67.1 m -60.23 -40.29 89.67 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 110.964 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -73.81 -33.99 64.42 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.286 -0.965 . . . . 0.0 109.247 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.5 tp -65.83 -43.26 89.06 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -50.97 -57.68 7.97 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.49 -1.381 . . . . 0.0 108.774 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -50.09 -36.13 28.18 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.425 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.77 -46.58 71.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.735 -1.228 . . . . 0.0 109.436 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -53.65 -36.45 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.689 -1.257 . . . . 0.0 109.574 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -63.47 -42.11 98.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -0.806 . . . . 0.0 111.322 -178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' B' ' 38' ' ' ASN . 22.5 t-20 -98.46 -18.74 18.06 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.054 -1.029 . . . . 0.0 111.287 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -93.27 -29.51 15.64 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.699 -1.251 . . . . 0.0 110.742 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.75 30.23 7.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.38 -0.825 . . . . 0.0 108.844 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -68.73 -28.48 66.86 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.862 . . . . 0.0 109.898 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.438 ' CG ' ' OE2' ' A' ' 4' ' ' GLU . 50.2 t-80 -74.29 -50.7 17.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.942 -1.098 . . . . 0.0 109.678 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -61.24 -28.67 69.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.568 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -46.77 -30.87 2.64 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.425 -0.797 . . . . 0.0 109.45 -179.556 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -77.36 -37.15 52.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.989 -1.069 . . . . 0.0 109.424 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -90.27 59.69 4.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.313 -0.867 . . . . 0.0 110.101 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.0 mm -119.92 110.63 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -89.93 -56.08 3.37 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 49' ' ' GLU . 47.9 mp0 -75.4 106.35 6.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.923 . . . . 0.0 109.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -82.4 -24.17 34.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -74.57 -22.17 59.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.194 -0.941 . . . . 0.0 110.287 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.2 -51.52 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.648 -1.282 . . . . 0.0 108.532 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.41 -33.27 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.891 -1.131 . . . . 0.0 109.049 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -59.91 -42.88 94.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.277 -0.889 . . . . 0.0 109.982 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -70.24 -26.53 63.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 110.122 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 80.8 t -65.77 -56.72 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.806 -1.184 . . . . 0.0 108.189 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.415 ' O ' ' OD1' ' B' ' 61' ' ' ASP . 20.1 mtt -55.08 -26.17 36.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.391 -0.818 . . . . 0.0 109.909 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.95 -35.23 20.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.031 -1.043 . . . . 0.0 109.021 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -69.85 -43.51 71.77 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.722 -1.236 . . . . 0.0 107.824 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' B' ' 62' ' ' GLU . 72.1 mt -61.83 -57.66 10.96 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.704 -1.248 . . . . 0.0 108.0 177.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' B' ' 57' ' ' MET . 0.9 OUTLIER -49.44 -20.15 0.66 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 108.984 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' B' ' 60' ' ' LEU . 94.6 mt-10 -103.33 42.49 1.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.187 0.994 . . . . 0.0 109.303 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 35.2 t0 -43.48 -35.68 1.72 Allowed 'General case' 0 C--N 1.276 -2.611 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.236 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.28 -11.03 0.01 OUTLIER Glycine 0 N--CA 1.493 2.486 0 C-N-CA 121.394 -0.431 . . . . 0.0 112.52 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 0.8 OUTLIER -106.41 -31.39 8.59 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 119.477 1.638 . . . . 0.0 112.106 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.03 21.41 Favored Glycine 0 N--CA 1.498 2.824 0 O-C-N 119.811 -1.806 . . . . 0.0 109.077 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -149.4 129.4 13.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.105 -1.232 . . . . 0.0 109.91 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 2.5 m -102.87 127.83 49.91 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.242 -0.911 . . . . 0.0 109.396 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 28.9 t70 -83.06 -174.73 5.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 109.799 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.443 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 29.4 t80 -75.53 -31.02 59.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.334 -0.854 . . . . 0.0 109.177 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.78 -36.81 75.02 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.95 -1.094 . . . . 0.0 109.001 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -72.42 -22.01 61.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.131 -0.981 . . . . 0.0 109.571 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.525 ' O ' HG23 ' B' ' 77' ' ' VAL . 46.2 t80 -75.52 -40.93 56.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.344 -0.847 . . . . 0.0 109.668 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.2 tpt -68.21 -47.41 67.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.194 -1.566 . . . . 0.0 109.093 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.45 -56.21 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.127 -1.608 . . . . 0.0 111.563 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.15 -37.75 75.25 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.561 -1.337 . . . . 0.0 109.863 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.3 t -63.28 -31.55 53.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.147 -0.971 . . . . 0.0 108.74 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -69.91 -50.44 42.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.0 109.741 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 61.8 mmm -49.8 -39.11 37.22 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.71 -50.49 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.99 -1.069 . . . . 0.0 109.419 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -57.97 -41.78 83.66 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.127 -0.983 . . . . 0.0 108.696 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.4 p -73.98 -20.98 60.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.527 -0.733 . . . . 0.0 109.853 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' B' ' 49' ' ' GLU . . . -56.85 -27.21 59.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' B' ' 85' ' ' HIS . 14.4 p -74.14 146.57 43.41 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.283 -0.885 . . . . 0.0 109.322 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' B' ' 84' ' ' CYS . 1.2 p80 -48.1 174.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.262 -0.899 . . . . 0.0 109.684 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -45.79 97.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.272 -0.892 . . . . 0.0 109.729 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 25.1 p90 -64.81 -25.14 67.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 25.7 m-85 -50.82 -32.68 20.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.903 -1.123 . . . . 0.0 108.762 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -100.23 50.71 0.9 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.602 -0.686 . . . . 0.0 109.324 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -62.2 146.16 51.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 109.375 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' B' ' 91' ' ' GLU . 1.3 mp0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.426 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 10.3 p -65.4 173.9 2.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.164 -0.96 . . . . 0.0 109.226 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.04 -33.51 75.59 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -61.41 -49.98 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.331 -0.856 . . . . 0.0 109.835 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.6 mp0 -53.16 -47.75 68.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.873 -1.142 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.58 -42.02 55.18 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.817 0.818 . . . . 0.0 109.771 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.18 -29.32 54.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.684 -0.635 . . . . 0.0 110.451 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.58 -45.02 94.84 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.713 -1.242 . . . . 0.0 108.475 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.85 -35.86 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.457 -0.777 . . . . 0.0 109.764 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.77 76.34 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 109.755 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -51.98 -56.23 15.5 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.904 0.859 . . . . 0.0 110.266 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.51 -37.85 47.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.86 -0.525 . . . . 0.0 110.142 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -70.99 -37.77 72.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.911 -1.118 . . . . 0.0 110.634 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -69.38 -42.69 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.439 -1.413 . . . . 0.0 109.012 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -54.34 -31.86 55.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.65 -1.281 . . . . 0.0 108.031 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.6 -31.43 47.12 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.616 -0.677 . . . . 0.0 110.097 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.36 -45.29 72.72 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.323 -0.86 . . . . 0.0 109.918 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -72.47 -44.32 62.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.938 -1.101 . . . . 0.0 109.178 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -97.34 60.32 1.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.399 -0.813 . . . . 0.0 109.978 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.72 -9.56 8.28 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.13 -31.85 72.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.603 -0.94 . . . . 0.0 108.976 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 23' ' ' ASP . 36.7 mt-10 -148.69 -45.33 0.15 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.644 -1.285 . . . . 0.0 109.877 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.11 15.09 0.17 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 21' ' ' GLU . 89.8 m-20 -48.03 -57.33 5.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -1.191 . . . . 0.0 108.35 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.62 16.82 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -105.87 45.57 0.97 Allowed 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.84 150.54 52.12 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.904 -0.498 . . . . 0.0 109.776 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.52 140.85 52.56 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.44 153.4 21.19 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.948 -1.095 . . . . 0.0 109.622 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -60.11 -41.47 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 110.338 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -56.38 -37.38 70.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 110.902 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -82.18 -35.38 28.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.889 -1.132 . . . . 0.0 109.035 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.48 -45.58 88.37 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' NZ ' ' CB ' ' A' ' 33' ' ' LYS . 2.2 ttmp? -52.78 -57.68 9.38 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.7 -1.25 . . . . 0.0 108.684 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.63 -37.41 28.01 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 119.706 -0.797 . . . . 0.0 109.275 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.08 -38.21 85.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.989 -1.069 . . . . 0.0 109.439 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.81 -34.66 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.745 -1.222 . . . . 0.0 109.324 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -64.97 -47.9 75.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.539 -0.726 . . . . 0.0 112.248 -177.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -89.63 6.22 42.26 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.771 -1.206 . . . . 0.0 111.79 -177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 3' ' ' LEU . 66.3 mm-40 -122.42 -21.47 5.77 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.023 -1.048 . . . . 0.0 110.854 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.65 24.47 9.15 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.128 -0.982 . . . . 0.0 109.954 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -73.55 -25.87 60.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.264 -0.898 . . . . 0.0 109.774 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.435 ' N ' ' HD1' ' A' ' 42' ' ' HIS . 2.0 m80 -73.12 -51.39 18.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.145 -0.972 . . . . 0.0 110.043 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -64.23 -16.98 63.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.125 -0.984 . . . . 0.0 109.39 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -45.82 -33.92 3.43 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.337 -0.852 . . . . 0.0 109.638 -179.497 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.01 -36.13 49.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.039 -1.038 . . . . 0.0 110.269 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.39 56.98 3.81 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.184 -0.947 . . . . 0.0 111.062 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.8 128.34 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.14 -55.69 2.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.275 -0.89 . . . . 0.0 109.693 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -74.32 107.13 6.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.158 -0.964 . . . . 0.0 109.655 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -84.0 -24.38 30.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 109.405 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -73.05 -22.53 60.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.282 -0.886 . . . . 0.0 110.143 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.3 t -72.75 -47.54 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 120.682 -1.261 . . . . 0.0 107.777 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.47 -33.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.026 -1.046 . . . . 0.0 108.985 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.95 -45.84 89.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.44 -0.787 . . . . 0.0 109.647 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -69.84 -25.94 63.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.867 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.89 -56.97 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.783 -1.198 . . . . 0.0 107.919 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.9 mmt -53.55 -25.84 18.74 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.309 -0.869 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.4 -38.49 15.03 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.111 -0.993 . . . . 0.0 109.035 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.83 -46.18 72.58 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' C ' ' N ' ' A' ' 62' ' ' GLU . 23.0 tp -59.91 -57.57 12.29 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.887 -1.133 . . . . 0.0 108.14 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.08 -18.84 0.62 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.174 -0.953 . . . . 0.0 109.36 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 60' ' ' LEU . 57.6 mm-40 -101.23 41.31 1.2 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 122.21 1.005 . . . . 0.0 109.402 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 65' ' ' ASP . 31.3 t0 -44.7 -35.04 2.47 Favored 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.231 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.3 -7.17 0.01 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.423 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' A' ' 63' ' ' ASP . 89.2 m-20 -104.56 -31.21 9.54 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 119.349 1.575 . . . . 0.0 111.99 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.78 -26.12 24.33 Favored Glycine 0 N--CA 1.502 3.058 0 O-C-N 119.858 -1.776 . . . . 0.0 108.881 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.85 131.32 16.7 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.271 -1.135 . . . . 0.0 109.239 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.07 127.22 52.79 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.105 -0.997 . . . . 0.0 109.569 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.09 5.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.32 -0.863 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.25 -25.71 59.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.446 -0.784 . . . . 0.0 109.253 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.38 -36.57 84.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.842 -1.162 . . . . 0.0 108.948 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.52 -22.48 61.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.212 -0.93 . . . . 0.0 109.737 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -76.24 -42.3 46.32 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.462 -0.774 . . . . 0.0 109.203 178.582 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.41 -56.11 9.6 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.161 -1.587 . . . . 0.0 108.954 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.77 -44.17 58.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.331 -1.481 . . . . 0.0 110.783 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.52 -34.53 72.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.72 -1.237 . . . . 0.0 109.64 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 73' ' ' PHE . 24.8 t -69.03 -32.9 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.085 -1.009 . . . . 0.0 108.607 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.33 -53.19 20.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.538 ' O ' ' N ' ' A' ' 83' ' ' ALA . 42.1 mtp -52.08 -52.11 53.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.173 -0.954 . . . . 0.0 109.895 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.05 -39.78 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.607 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.3 m -69.39 -48.73 60.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.039 -1.038 . . . . 0.0 108.82 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.3 p -72.67 -18.4 61.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.498 -0.752 . . . . 0.0 109.703 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.12 -29.19 57.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 0.0 109.235 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 85' ' ' HIS . 20.8 p -73.54 152.63 40.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.396 -0.815 . . . . 0.0 109.211 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.437 ' O ' ' O ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -47.91 175.37 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.747 -179.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.7 OUTLIER -44.25 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.416 -0.802 . . . . 0.0 109.988 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 88' ' ' PHE . 40.6 p90 -62.3 -24.51 67.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.186 -0.946 . . . . 0.0 109.121 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 87' ' ' PHE . 58.5 m-85 -50.02 -37.0 30.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.201 -0.937 . . . . 0.0 108.804 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -93.38 57.08 2.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.392 -0.817 . . . . 0.0 109.249 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -59.57 104.75 0.3 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 0.0 109.266 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.41 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' B' ' 0' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.441 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 10.4 p -65.5 173.91 2.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.212 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.0 -33.42 75.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.497 HD13 ' OE1' ' A' ' 39' ' ' GLU . 1.1 tt -61.41 -50.01 74.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.804 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' B' ' 1' ' ' SER . 2.6 mp0 -53.19 -47.72 68.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.932 -1.105 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -50.7 -41.9 56.39 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.804 0.811 . . . . 0.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.2 -29.38 54.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.699 -0.625 . . . . 0.0 110.459 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.52 -45.0 94.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.743 -1.223 . . . . 0.0 108.457 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -69.96 -35.8 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.454 -0.779 . . . . 0.0 109.708 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.83 76.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.269 -0.894 . . . . 0.0 109.744 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.9 -56.22 15.43 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-O 121.884 0.85 . . . . 0.0 110.26 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.2 mt -55.59 -37.8 47.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.144 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -70.92 -37.79 72.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.896 -1.127 . . . . 0.0 110.658 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.38 -42.71 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.447 -1.408 . . . . 0.0 108.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.25 -31.86 54.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.664 -1.272 . . . . 0.0 108.013 178.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -78.72 -31.39 46.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.605 -0.684 . . . . 0.0 110.056 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.33 -45.24 72.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.333 -0.855 . . . . 0.0 110.004 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -72.49 -44.28 62.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.941 -1.099 . . . . 0.0 109.169 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -97.42 60.42 1.61 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.351 -0.843 . . . . 0.0 109.946 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.75 -9.53 8.27 Favored Glycine 0 N--CA 1.5 2.953 0 N-CA-C 107.653 -2.179 . . . . 0.0 107.653 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -67.15 -31.77 72.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.616 -0.932 . . . . 0.0 108.973 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 23' ' ' ASP . 36.7 mt-10 -148.75 -45.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.694 -1.254 . . . . 0.0 109.848 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.08 15.11 0.17 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 21' ' ' GLU . 89.7 m-20 -48.07 -57.36 5.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -1.169 . . . . 0.0 108.32 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -91.74 157.52 16.88 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.401 ' ND1' ' N ' ' B' ' 25' ' ' HIS . 12.0 p-80 -105.81 45.61 0.96 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -131.8 150.49 52.14 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.906 -0.496 . . . . 0.0 109.807 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 tp -124.51 140.89 52.52 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.41 153.31 21.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.956 -1.09 . . . . 0.0 109.671 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -59.96 -41.59 92.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -37.38 69.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 110.939 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.22 -35.44 28.21 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.984 -1.072 . . . . 0.0 109.006 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.46 -45.61 88.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.439 ' NZ ' ' CB ' ' B' ' 33' ' ' LYS . 2.2 ttmp? -52.84 -57.6 9.66 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 120.626 -1.296 . . . . 0.0 108.664 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -49.72 -37.2 28.27 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.655 -0.818 . . . . 0.0 109.317 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.23 -38.16 84.76 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.055 -1.028 . . . . 0.0 109.436 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -59.82 -34.75 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.733 -1.23 . . . . 0.0 109.287 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.405 ' C ' ' ND2' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -64.89 -47.9 76.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.508 -0.745 . . . . 0.0 112.244 -177.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -89.69 6.27 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.814 -1.179 . . . . 0.0 111.759 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.498 ' OE1' HD13 ' A' ' 3' ' ' LEU . 66.3 mm-40 -122.47 -21.49 5.74 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.075 -1.015 . . . . 0.0 110.83 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -122.59 24.37 9.22 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.24 -0.912 . . . . 0.0 109.98 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -73.5 -25.88 60.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.298 -0.876 . . . . 0.0 109.758 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.426 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 2.0 m80 -73.15 -51.35 18.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.151 -0.968 . . . . 0.0 110.036 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -64.31 -16.99 63.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.19 -0.944 . . . . 0.0 109.39 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.57 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -45.66 -34.01 3.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.385 -0.822 . . . . 0.0 109.675 -179.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.05 -36.09 48.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 110.242 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.44 57.0 3.8 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 111.079 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 68.7 mt -127.81 128.27 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -103.12 -55.73 2.36 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.292 -0.88 . . . . 0.0 109.65 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -74.28 107.14 6.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.182 -0.949 . . . . 0.0 109.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -84.01 -24.38 30.56 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.072 -1.018 . . . . 0.0 109.402 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -73.05 -22.45 60.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.156 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 76.1 t -72.81 -47.56 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.628 -1.295 . . . . 0.0 107.733 177.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.46 -33.84 63.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.08 -1.013 . . . . 0.0 108.992 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -58.94 -45.85 89.43 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.454 -0.779 . . . . 0.0 109.65 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -69.81 -25.92 64.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.198 -0.939 . . . . 0.0 109.864 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 25.2 t -65.92 -57.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.734 -1.229 . . . . 0.0 107.887 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 20.8 mmt -53.5 -25.83 18.19 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.31 -0.869 . . . . 0.0 109.486 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -88.42 -38.51 14.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.132 -0.98 . . . . 0.0 109.035 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.0 m -67.7 -46.22 72.87 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.93 -57.57 12.31 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.862 -1.149 . . . . 0.0 108.099 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -50.09 -18.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.44 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -100.76 40.72 1.24 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 122.128 0.966 . . . . 0.0 109.697 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' B' ' 65' ' ' ASP . 27.5 t0 -45.02 -34.12 2.35 Favored 'General case' 0 C--N 1.276 -2.611 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.23 -8.12 0.01 OUTLIER Glycine 0 N--CA 1.495 2.618 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.609 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 63' ' ' ASP . 89.2 m-20 -104.14 -31.17 9.77 Favored 'General case' 0 N--CA 1.51 2.556 0 CA-C-N 119.466 1.633 . . . . 0.0 112.096 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.86 -26.26 23.83 Favored Glycine 0 N--CA 1.499 2.878 0 O-C-N 119.939 -1.726 . . . . 0.0 108.85 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -147.72 131.22 16.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.279 -1.13 . . . . 0.0 109.244 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 m -105.0 127.22 52.77 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.139 -0.976 . . . . 0.0 109.598 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -83.89 -174.01 5.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.355 -0.841 . . . . 0.0 109.923 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -74.3 -25.71 59.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.425 -0.797 . . . . 0.0 109.22 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -63.4 -36.53 84.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.88 -1.138 . . . . 0.0 108.964 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.58 -22.46 61.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.189 -0.944 . . . . 0.0 109.694 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -76.3 -42.21 46.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.477 -0.765 . . . . 0.0 109.213 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.2 tpt -68.5 -56.04 9.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.2 -1.563 . . . . 0.0 108.988 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.75 -44.2 58.41 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.366 -1.459 . . . . 0.0 110.819 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -70.51 -34.49 72.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.756 -1.215 . . . . 0.0 109.659 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.457 HG23 ' O ' ' B' ' 73' ' ' PHE . 24.8 t -69.07 -32.86 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.141 -0.975 . . . . 0.0 108.635 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 9.8 t -69.35 -53.26 20.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.234 -0.917 . . . . 0.0 109.645 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.525 ' O ' ' N ' ' B' ' 83' ' ' ALA . 42.2 mtp -52.03 -52.07 53.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.173 -0.954 . . . . 0.0 109.903 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.11 -39.77 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.425 -0.797 . . . . 0.0 109.594 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.7 m -69.43 -48.72 60.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.04 -1.037 . . . . 0.0 108.785 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 79.1 p -72.71 -18.36 61.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.502 -0.749 . . . . 0.0 109.665 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.17 -29.11 57.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -0.936 . . . . 0.0 109.256 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' B' ' 85' ' ' HIS . 21.0 p -73.64 152.68 40.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.427 -0.796 . . . . 0.0 109.167 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.448 ' O ' ' O ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -47.89 175.34 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.886 . . . . 0.0 109.781 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 0.7 OUTLIER -44.23 98.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.403 -0.811 . . . . 0.0 109.989 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.575 ' CE1' ' CE1' ' B' ' 88' ' ' PHE . 40.7 p90 -62.27 -24.36 67.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 109.072 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.575 ' CE1' ' CE1' ' B' ' 87' ' ' PHE . 59.3 m-85 -50.11 -37.0 31.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 0.0 108.918 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.28 56.94 2.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.524 -0.735 . . . . 0.0 109.205 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -59.61 104.83 0.31 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 0.0 109.257 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.398 -179.707 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 39.3 ttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 p -84.85 166.01 17.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.134 -0.978 . . . . 0.0 108.996 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.07 69.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.66 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.4 tt -59.62 -49.97 75.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.294 -0.879 . . . . 0.0 109.626 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.15 -47.06 84.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.002 -1.061 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -46.63 -42.95 17.03 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.825 0.821 . . . . 0.0 109.724 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -79.52 -28.65 41.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.666 -0.646 . . . . 0.0 110.749 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.17 -47.79 82.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.388 -1.445 . . . . 0.0 108.569 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 0.0 109.536 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.67 -47.68 81.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.152 -0.967 . . . . 0.0 109.329 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.66 -45.12 27.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.876 -1.14 . . . . 0.0 109.003 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.62 -43.33 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.459 -0.897 . . . . 0.0 108.606 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -50.69 -49.44 57.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.561 -0.712 . . . . 0.0 110.112 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -76.79 -46.55 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.311 -0.868 . . . . 0.0 110.991 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -51.07 -33.82 27.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.531 -1.355 . . . . 0.0 109.319 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -80.47 -30.37 37.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 110.361 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -54.01 -45.02 71.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -73.91 -39.7 63.66 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.024 -1.047 . . . . 0.0 108.886 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.9 56.61 0.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.435 -0.79 . . . . 0.0 109.912 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.7 11.09 Favored Glycine 0 N--CA 1.503 3.113 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -65.67 -32.24 73.7 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.589 -0.948 . . . . 0.0 109.251 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 47.0 mt-10 -146.96 -45.27 0.18 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.29 0.25 Allowed Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.4 m-20 -47.9 -63.17 1.14 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.113 -1.227 . . . . 0.0 108.348 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -88.81 172.81 8.94 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.46 ' CE1' ' NZ ' ' A' ' 26' ' ' LYS . 21.9 p-80 -118.98 49.8 1.28 Allowed 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' NZ ' ' CE1' ' A' ' 25' ' ' HIS . 50.2 mttp -130.75 147.16 52.38 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.894 -0.504 . . . . 0.0 109.646 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.13 52.67 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.04 149.13 25.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.01 -1.056 . . . . 0.0 109.446 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' CG ' ' N ' ' A' ' 30' ' ' SER . 17.1 pttm -57.21 -41.31 79.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.849 -1.157 . . . . 0.0 109.695 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 39.9 m -57.76 -39.61 77.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.645 -0.659 . . . . 0.0 111.137 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.27 -34.84 36.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.905 -1.122 . . . . 0.0 108.922 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -45.14 95.42 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.93 -57.15 12.05 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.687 -1.258 . . . . 0.0 108.829 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.01 -36.56 18.05 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.571 -0.851 . . . . 0.0 108.942 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.44 -36.31 78.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.214 -0.929 . . . . 0.0 109.698 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.85 -35.73 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.823 -1.173 . . . . 0.0 109.806 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.64 -48.81 68.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.213 -0.929 . . . . 0.0 111.819 -177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.44 5.91 32.85 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.042 -1.036 . . . . 0.0 111.452 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.83 -26.61 3.45 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 120.989 -1.069 . . . . 0.0 111.178 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.63 12.36 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.1 -1.0 . . . . 0.0 109.138 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.75 61.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.427 -0.796 . . . . 0.0 109.536 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.434 ' ND1' ' C ' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -72.88 -49.82 27.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 0.0 110.067 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.04 -19.2 64.87 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.956 . . . . 0.0 109.806 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.48 -25.94 3.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.436 -179.422 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -78.48 -39.21 39.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -0.974 . . . . 0.0 109.927 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.1 57.99 3.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.266 -0.896 . . . . 0.0 110.375 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.3 mm -117.72 104.5 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -83.63 -51.13 7.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.006 -1.059 . . . . 0.0 109.173 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.02 103.09 12.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.118 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.32 -21.47 45.87 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.93 -1.106 . . . . 0.0 109.468 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -73.32 -21.97 60.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.22 -0.925 . . . . 0.0 110.264 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.6 t -74.69 -49.97 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.62 -1.3 . . . . 0.0 108.071 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.97 -33.52 58.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.886 -1.134 . . . . 0.0 108.917 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.12 -46.57 89.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.33 -0.856 . . . . 0.0 109.647 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.16 -26.85 65.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.061 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.08 -56.15 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.69 -1.256 . . . . 0.0 108.267 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.63 -25.36 38.54 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.358 -0.838 . . . . 0.0 110.4 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -85.73 -35.43 20.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.9 -1.125 . . . . 0.0 109.28 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.91 -47.13 69.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.805 -1.184 . . . . 0.0 108.012 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.23 -56.72 18.5 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.642 -1.286 . . . . 0.0 107.829 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.16 -22.61 1.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 108.952 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -103.41 41.62 1.25 Allowed 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 122.106 0.955 . . . . 0.0 109.012 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 65' ' ' ASP . 22.9 p-10 -43.85 -34.12 1.52 Allowed 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 121.726 0.774 . . . . 0.0 109.67 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.17 -9.07 0.01 OUTLIER Glycine 0 N--CA 1.495 2.571 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.82 8.11 Favored 'General case' 0 N--CA 1.513 2.715 0 CA-C-N 119.226 1.513 . . . . 0.0 112.101 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -26.09 23.38 Favored Glycine 0 N--CA 1.502 3.087 0 O-C-N 119.836 -1.79 . . . . 0.0 109.494 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -149.3 131.46 15.43 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.095 -1.238 . . . . 0.0 109.776 179.169 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.88 125.48 48.57 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.096 -1.002 . . . . 0.0 109.518 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.2 m-20 -83.81 -173.42 4.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.271 -0.893 . . . . 0.0 110.021 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -74.84 -26.43 59.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.305 -0.872 . . . . 0.0 109.052 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -62.65 -35.64 80.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.801 -1.187 . . . . 0.0 108.413 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -73.18 -23.11 60.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.141 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.2 t80 -78.28 -42.07 32.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 109.566 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.56 -31.14 68.06 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.381 -1.449 . . . . 0.0 109.514 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.31 -55.24 5.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.199 -1.563 . . . . 0.0 110.906 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.28 -33.8 71.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.521 -1.362 . . . . 0.0 109.707 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 73' ' ' PHE . 39.9 t -65.1 -32.38 58.04 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.262 -0.898 . . . . 0.0 108.619 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.06 -51.28 40.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.48 -40.1 50.12 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.128 -0.983 . . . . 0.0 110.418 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.23 -57.23 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.006 -1.059 . . . . 0.0 109.516 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.6 p -60.39 -38.55 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.05 -1.031 . . . . 0.0 108.503 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.3 m -74.64 -20.83 59.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.605 -0.684 . . . . 0.0 110.061 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -43.49 66.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.895 -1.128 . . . . 0.0 108.703 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 84' ' ' CYS . 46.4 t -76.57 49.74 0.63 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -46.36 172.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.482 -0.761 . . . . 0.0 109.881 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 62.01 19.29 10.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -0.85 . . . . 0.0 109.604 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 17.6 p90 -62.17 -23.63 66.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -0.947 . . . . 0.0 109.495 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.612 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 21.4 m-85 -50.52 -38.31 43.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -0.949 . . . . 0.0 109.352 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 91' ' ' GLU . 73.7 mt-10 -84.86 61.55 6.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.593 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -67.77 75.65 0.19 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.366 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 89' ' ' GLU . 41.3 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.492 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.443 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 39.3 ttp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.0 p -84.82 166.03 17.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.211 -0.931 . . . . 0.0 108.972 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -57.14 -35.04 69.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.189 -0.944 . . . . 0.0 109.681 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.472 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.4 tt -59.71 -49.89 75.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.621 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' B' ' 0' ' ' MET . 21.9 mt-10 -58.15 -47.11 84.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.055 -1.028 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -46.53 -43.05 16.62 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.827 0.822 . . . . 0.0 109.713 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -79.53 -28.64 41.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.72 -0.612 . . . . 0.0 110.716 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.1 tpt -58.12 -47.84 82.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.42 -1.425 . . . . 0.0 108.558 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.05 -35.92 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.485 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.62 81.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.72 -45.11 28.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.927 -1.108 . . . . 0.0 109.008 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.69 -43.25 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.605 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.78 -49.44 58.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.579 -0.701 . . . . 0.0 110.049 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 99.9 t -76.77 -46.63 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -0.876 . . . . 0.0 110.927 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -50.95 -33.88 26.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.515 -1.366 . . . . 0.0 109.312 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -80.51 -30.34 37.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 0.0 110.351 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -53.99 -45.1 71.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.188 -0.945 . . . . 0.0 109.959 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -73.88 -39.62 63.78 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.046 -1.034 . . . . 0.0 108.934 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m -99.98 56.63 0.96 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 109.841 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.56 -9.75 11.05 Favored Glycine 0 N--CA 1.503 3.11 0 N-CA-C 107.756 -2.138 . . . . 0.0 107.756 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -65.69 -32.23 73.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.623 -0.927 . . . . 0.0 109.186 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 23' ' ' ASP . 47.0 mt-10 -146.94 -45.33 0.18 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.584 -1.323 . . . . 0.0 109.923 178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.84 10.27 0.25 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 21' ' ' GLU . 17.4 m-20 -47.91 -63.21 1.13 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.142 -1.21 . . . . 0.0 108.293 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -88.81 172.79 8.95 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.463 ' CE1' ' NZ ' ' B' ' 26' ' ' LYS . 21.9 p-80 -118.93 49.73 1.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.463 ' NZ ' ' CE1' ' B' ' 25' ' ' HIS . 50.3 mttp -130.75 147.22 52.39 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.64 140.12 52.68 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -86.06 149.12 25.38 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.034 -1.041 . . . . 0.0 109.455 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' B' ' 30' ' ' SER . 17.1 pttm -57.12 -41.38 78.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.85 -1.156 . . . . 0.0 109.681 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 39.6 m -57.73 -39.66 77.84 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.645 -0.659 . . . . 0.0 111.112 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -80.21 -34.81 37.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.889 -1.132 . . . . 0.0 108.974 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.77 -45.09 95.7 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.95 -57.1 12.25 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.681 -1.262 . . . . 0.0 108.844 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -49.1 -36.56 19.02 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.521 -0.872 . . . . 0.0 108.933 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.37 -36.36 79.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 0.0 109.706 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.83 -35.64 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.799 -1.188 . . . . 0.0 109.84 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -66.66 -48.81 68.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.797 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -86.43 5.81 33.26 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.022 -1.049 . . . . 0.0 111.463 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -125.73 -26.64 3.47 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 120.992 -1.067 . . . . 0.0 111.17 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.27 22.62 12.36 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.09 -1.006 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -71.6 -23.81 61.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.494 -0.754 . . . . 0.0 109.557 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.428 ' C ' ' ND1' ' B' ' 42' ' ' HIS . 0.3 OUTLIER -72.8 -49.87 27.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.085 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -68.1 -19.13 64.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.11 -0.994 . . . . 0.0 109.771 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.492 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.46 -25.93 2.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.288 -0.883 . . . . 0.0 109.474 -179.486 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -78.55 -39.15 38.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.161 -0.962 . . . . 0.0 109.889 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.07 57.93 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.207 -0.933 . . . . 0.0 110.422 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -117.71 104.61 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -83.7 -51.13 7.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.028 -1.045 . . . . 0.0 109.162 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -84.07 103.15 13.06 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.285 -0.885 . . . . 0.0 109.09 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.34 -21.46 45.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.971 -1.081 . . . . 0.0 109.454 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -73.39 -21.97 60.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.174 -0.954 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.6 -49.99 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 120.678 -1.264 . . . . 0.0 108.107 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.06 -33.44 58.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 120.957 -1.089 . . . . 0.0 108.885 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.21 -46.47 89.64 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.283 -0.886 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -68.2 -26.83 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 0.0 110.085 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.13 -56.15 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.72 -1.238 . . . . 0.0 108.205 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 23.5 mmt -55.6 -25.47 38.74 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.469 -0.77 . . . . 0.0 110.323 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -85.65 -35.42 20.94 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.962 -1.086 . . . . 0.0 109.283 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -67.96 -47.1 69.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.798 -1.189 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.19 -56.71 18.66 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.681 -1.262 . . . . 0.0 107.841 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -50.22 -22.54 1.78 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.244 -0.91 . . . . 0.0 108.94 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -103.45 41.72 1.24 Allowed 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.199 0.999 . . . . 0.0 109.272 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' B' ' 65' ' ' ASP . 22.9 p-10 -43.59 -34.37 1.4 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.03 -9.08 0.01 OUTLIER Glycine 0 N--CA 1.489 2.217 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.019 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.581 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.3 p30 -107.06 -31.71 8.16 Favored 'General case' 0 N--CA 1.511 2.593 0 CA-C-N 119.145 1.473 . . . . 0.0 112.113 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.1 -26.29 22.57 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 119.769 -1.832 . . . . 0.0 109.447 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -149.2 131.51 15.57 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.129 -1.218 . . . . 0.0 109.715 179.28 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.94 125.53 48.65 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.176 -0.953 . . . . 0.0 109.468 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 1.2 m-20 -83.87 -173.44 4.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.281 -0.887 . . . . 0.0 110.013 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -74.83 -26.37 59.66 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.087 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.74 -35.62 80.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.936 -1.102 . . . . 0.0 108.372 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -73.14 -23.14 60.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.472 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.2 t80 -78.35 -42.02 31.77 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.13 -0.981 . . . . 0.0 109.555 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.4 tpt -70.52 -31.2 68.19 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.373 -1.454 . . . . 0.0 109.527 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.25 -55.25 5.23 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.241 -1.537 . . . . 0.0 110.919 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.25 -33.86 71.54 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.536 -1.352 . . . . 0.0 109.708 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 73' ' ' PHE . 40.1 t -65.07 -32.37 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.28 -0.888 . . . . 0.0 108.633 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -69.12 -51.15 41.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.301 -0.874 . . . . 0.0 109.565 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 54.4 mmm -50.56 -40.02 50.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.152 -0.968 . . . . 0.0 110.447 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.27 -57.24 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.966 -1.084 . . . . 0.0 109.479 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 11.8 p -60.39 -38.56 84.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.089 -1.007 . . . . 0.0 108.507 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.4 m -74.69 -20.8 59.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.553 -0.717 . . . . 0.0 110.05 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.44 66.22 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.84 -1.162 . . . . 0.0 108.693 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' B' ' 84' ' ' CYS . 46.4 t -76.62 49.77 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -46.3 172.68 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.449 -0.782 . . . . 0.0 109.92 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 62.03 19.2 10.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.37 -0.831 . . . . 0.0 109.585 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 17.8 p90 -62.1 -23.58 66.61 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.213 -0.929 . . . . 0.0 109.502 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 21.6 m-85 -50.56 -38.33 44.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 0.0 109.32 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 91' ' ' GLU . 73.7 mt-10 -84.82 61.6 6.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.454 -0.779 . . . . 0.0 109.587 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -67.85 75.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.222 -0.923 . . . . 0.0 109.336 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 89' ' ' GLU . 41.2 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.514 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.503 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 26.2 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 p -62.64 172.05 1.78 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.119 -0.988 . . . . 0.0 108.983 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.1 -34.51 78.2 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.066 -1.021 . . . . 0.0 109.385 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 3' ' ' LEU . 3.4 tt -57.56 -52.88 63.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.131 -0.981 . . . . 0.0 109.296 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 0' ' ' MET . 33.6 mt-10 -53.1 -46.96 68.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 110.021 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.76 -44.55 38.83 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.947 0.88 . . . . 0.0 109.346 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -77.72 -29.55 51.26 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.919 -0.488 . . . . 0.0 110.723 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.43 ' SD ' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -62.81 -47.15 84.7 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 120.678 -1.264 . . . . 0.0 108.545 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.03 -35.99 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.485 -0.759 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.4 -48.79 76.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.896 -1.128 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.88 -55.72 21.09 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-O 121.955 0.883 . . . . 0.0 110.269 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.04 -43.11 68.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.894 -0.504 . . . . 0.0 110.371 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -68.93 -36.89 78.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.779 -1.2 . . . . 0.0 110.578 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.65 -36.08 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.479 -1.388 . . . . 0.0 108.91 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -57.77 -31.77 66.84 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.063 -1.023 . . . . 0.0 108.346 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.08 -30.47 43.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.57 -0.706 . . . . 0.0 109.89 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.472 ' OE1' ' CD1' ' A' ' 17' ' ' TYR . 13.3 tm0? -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.393 -0.817 . . . . 0.0 110.074 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.472 ' CD1' ' OE1' ' A' ' 16' ' ' GLN . 24.0 m-85 -75.01 -41.22 59.88 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.083 -1.01 . . . . 0.0 109.323 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 18' ' ' SER . 15.2 p -97.24 57.58 1.45 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.373 -0.829 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.58 -11.26 8.02 Favored Glycine 0 N--CA 1.501 3.013 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.14 -29.73 69.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.528 -0.983 . . . . 0.0 108.794 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' ASP . 7.7 pt-20 -147.85 -45.68 0.16 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.675 -1.266 . . . . 0.0 110.02 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.73 7.45 0.28 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' GLU . 57.7 t0 -49.37 -61.88 1.85 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.016 -1.285 . . . . 0.0 108.269 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.2 -178.43 5.65 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -129.25 48.87 2.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.51 145.82 51.93 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.76 -0.587 . . . . 0.0 109.717 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.7 142.49 51.36 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -94.67 158.99 15.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.079 -1.013 . . . . 0.0 109.924 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -63.04 -37.95 89.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.372 -0.83 . . . . 0.0 110.313 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.08 -43.67 95.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.257 -0.902 . . . . 0.0 111.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.25 -33.42 49.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.95 -1.094 . . . . 0.0 109.084 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.04 -43.27 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.51 -56.42 13.48 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.636 -1.29 . . . . 0.0 108.712 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.6 -34.03 7.32 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.498 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.86 -46.79 70.74 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.925 -1.109 . . . . 0.0 109.476 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.25 -35.15 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.818 -1.176 . . . . 0.0 109.768 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -68.07 -26.8 66.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.0 112.145 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.71 -18.86 13.72 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.956 -1.09 . . . . 0.0 111.66 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' C ' HD12 ' A' ' 40' ' ' LEU . 11.0 mm-40 -102.37 -26.12 13.4 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.843 -1.161 . . . . 0.0 110.828 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 39' ' ' GLU . 7.4 mp -112.76 24.02 12.87 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.209 -0.932 . . . . 0.0 109.271 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 p -72.85 -26.02 61.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.485 -0.759 . . . . 0.0 109.734 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.9 -50.35 20.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.065 -1.022 . . . . 0.0 110.011 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLU . 79.6 m-85 -64.22 -25.58 68.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.145 -0.972 . . . . 0.0 109.669 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -47.52 -16.88 0.07 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.287 -0.883 . . . . 0.0 109.174 -179.561 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' PHE . 54.3 tt0 -82.93 -42.28 17.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.834 . . . . 0.0 110.144 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 23.8 mt-10 -85.7 58.11 4.85 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.222 -0.924 . . . . 0.0 110.281 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.6 mm -117.38 104.24 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.515 -0.741 . . . . 0.0 109.058 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.93 -44.52 7.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.143 -0.973 . . . . 0.0 109.524 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' GLU . 16.7 tp10 -87.56 66.07 8.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.146 -0.971 . . . . 0.0 108.997 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.31 -20.99 0.06 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.366 -0.834 . . . . 0.0 110.69 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' GLU . 20.4 mt-10 -74.04 -24.73 59.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 111.031 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.75 -49.78 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.374 -1.454 . . . . 0.0 108.021 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.17 -33.49 58.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.989 -1.069 . . . . 0.0 108.56 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -59.47 -45.77 90.7 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.459 -0.776 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -68.38 -27.24 66.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.926 . . . . 0.0 109.706 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.22 -56.07 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 120.615 -1.303 . . . . 0.0 107.574 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -29.11 21.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.119 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.18 -38.7 16.15 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.03 -1.044 . . . . 0.0 109.151 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.2 m -66.6 -42.31 87.07 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.72 -57.65 6.0 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.874 -1.141 . . . . 0.0 108.295 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -50.73 -19.49 0.96 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.08 -1.012 . . . . 0.0 109.234 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -101.33 43.08 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.35 1.071 . . . . 0.0 108.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 65' ' ' ASP . 39.8 t0 -44.22 -32.76 1.35 Allowed 'General case' 0 C--N 1.274 -2.717 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.405 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.12 -10.45 0.01 OUTLIER Glycine 0 N--CA 1.499 2.883 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.6 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' A' ' 63' ' ' ASP . 1.1 p30 -106.13 -31.48 8.68 Favored 'General case' 0 N--CA 1.512 2.645 0 CA-C-N 119.264 1.532 . . . . 0.0 112.022 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.63 -24.34 27.44 Favored Glycine 0 N--CA 1.502 3.049 0 O-C-N 119.918 -1.738 . . . . 0.0 109.271 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.74 131.07 15.61 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.123 -1.222 . . . . 0.0 109.719 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' SG ' ' CG ' ' A' ' 63' ' ' ASP . 10.8 m -105.31 126.92 52.65 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 109.441 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.14 -171.77 3.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.05 -36.12 64.34 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.2 -37.53 77.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.866 -1.146 . . . . 0.0 109.288 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -73.78 -24.99 59.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.282 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CE1' ' CG2' ' A' ' 77' ' ' VAL . 10.2 t80 -76.32 -41.15 49.47 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.17 -26.74 67.56 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.639 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.01 -45.31 42.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.368 -1.457 . . . . 0.0 110.02 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -64.1 -32.63 74.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.556 -1.34 . . . . 0.0 109.354 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.535 ' CG2' ' CE1' ' A' ' 73' ' ' PHE . 44.8 t -66.94 -35.65 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 109.23 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.2 p -71.51 -55.48 7.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.145 -0.972 . . . . 0.0 110.125 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.05 48.96 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 110.475 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.0 -42.78 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.076 -1.015 . . . . 0.0 109.875 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -68.64 -42.44 78.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.909 -1.119 . . . . 0.0 108.526 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.2 p -72.98 -20.4 61.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.525 -0.734 . . . . 0.0 109.742 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.2 51.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.009 -1.057 . . . . 0.0 108.577 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 46' ' ' GLU . 21.3 m -74.37 143.57 44.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.583 -0.698 . . . . 0.0 109.257 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' PHE . 10.7 m-70 -55.71 -169.43 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.208 -0.932 . . . . 0.0 109.069 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -46.68 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.087 -1.008 . . . . 0.0 109.774 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -59.61 -24.12 63.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.0 109.073 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -50.67 -30.45 13.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 109.079 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -89.47 56.83 3.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.345 -0.847 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 87' ' ' PHE . 94.2 m-70 -61.38 150.3 35.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.929 . . . . 0.0 109.372 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 91' ' ' GLU . 6.4 mp0 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.499 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 26.2 ttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p -62.63 172.06 1.78 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.171 -0.956 . . . . 0.0 108.937 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.1 -34.51 78.21 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.023 -1.048 . . . . 0.0 109.338 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.414 ' O ' HD23 ' B' ' 3' ' ' LEU . 3.4 tt -57.53 -52.91 63.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.163 -0.961 . . . . 0.0 109.283 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' B' ' 0' ' ' MET . 33.6 mt-10 -53.13 -47.04 68.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.948 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -48.68 -44.57 38.02 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.948 0.88 . . . . 0.0 109.341 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -77.77 -29.49 50.99 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.43 ' SD ' ' O ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -62.88 -47.08 84.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.647 -1.283 . . . . 0.0 108.575 179.561 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.02 -35.97 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.557 -0.714 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -48.83 76.24 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.877 -1.139 . . . . 0.0 109.22 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.87 -55.79 20.54 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.294 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.02 -43.08 67.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.919 -0.488 . . . . 0.0 110.389 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.794 -1.191 . . . . 0.0 110.569 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.67 -36.09 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.461 -1.399 . . . . 0.0 108.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -57.73 -31.85 66.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.001 -1.062 . . . . 0.0 108.346 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -79.09 -30.32 43.8 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' B' ' 17' ' ' TYR . 13.3 tm0? -54.81 -45.32 74.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.472 -0.767 . . . . 0.0 110.075 -178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.468 ' CD1' ' OE1' ' B' ' 16' ' ' GLN . 24.1 m-85 -74.98 -41.18 60.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 109.339 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.2 p -97.25 57.57 1.45 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.314 -0.866 . . . . 0.0 109.54 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.52 -11.29 8.05 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 107.931 -2.068 . . . . 0.0 107.931 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -61.11 -29.71 69.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.982 . . . . 0.0 108.778 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 23' ' ' ASP . 7.8 pt-20 -147.86 -45.78 0.16 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.572 -1.33 . . . . 0.0 109.977 178.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.75 7.37 0.28 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.511 ' H ' ' C ' ' B' ' 21' ' ' GLU . 57.7 t0 -49.31 -61.89 1.84 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 108.274 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -89.25 -178.49 5.65 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 1.0 OUTLIER -129.19 48.92 2.3 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -130.5 145.8 51.92 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.844 -0.535 . . . . 0.0 109.76 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -124.71 142.49 51.36 Favored 'General case' 0 N--CA 1.501 2.091 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.402 ' H ' HD23 ' B' ' 27' ' ' LEU . 85.6 mttt -94.67 159.01 15.26 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.088 -1.008 . . . . 0.0 109.906 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -63.07 -37.93 89.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.379 -0.826 . . . . 0.0 110.258 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -60.14 -43.6 95.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.95 . . . . 0.0 111.346 -178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -78.23 -33.49 49.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.989 -1.07 . . . . 0.0 109.125 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.06 -43.27 92.82 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -51.44 -56.45 13.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.627 -1.296 . . . . 0.0 108.743 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -47.68 -33.95 7.51 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.488 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.89 -46.79 70.67 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.849 -1.157 . . . . 0.0 109.442 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.3 mt -55.26 -35.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.903 -1.123 . . . . 0.0 109.751 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -67.99 -26.87 66.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 112.192 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -107.68 -18.83 13.73 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.993 -1.067 . . . . 0.0 111.654 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.422 ' O ' HD12 ' B' ' 40' ' ' LEU . 11.0 mm-40 -102.38 -26.1 13.4 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.774 -1.204 . . . . 0.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.422 HD12 ' O ' ' B' ' 39' ' ' GLU . 7.3 mp -112.76 24.04 12.85 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.22 -0.925 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.9 p -72.89 -26.0 61.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.495 -0.753 . . . . 0.0 109.718 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -73.96 -50.33 20.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.086 -1.009 . . . . 0.0 109.975 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.462 ' C ' ' N ' ' B' ' 45' ' ' GLU . 79.6 m-85 -64.28 -25.56 68.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.444 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -47.58 -16.83 0.07 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' B' ' 43' ' ' PHE . 54.3 tt0 -82.97 -42.27 17.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.366 -0.834 . . . . 0.0 110.109 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.501 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 23.8 mt-10 -85.69 58.1 4.85 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.265 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.43 104.27 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.47 -0.769 . . . . 0.0 109.0 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -94.91 -44.63 7.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.175 -0.953 . . . . 0.0 109.461 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 51' ' ' GLU . 16.6 tp10 -87.53 66.06 8.84 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.105 -0.997 . . . . 0.0 109.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -45.24 -21.09 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.345 -0.847 . . . . 0.0 110.664 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 49' ' ' GLU . 20.4 mt-10 -74.03 -24.71 59.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 111.023 -178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 89.1 t -74.74 -49.84 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.336 -1.478 . . . . 0.0 107.979 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 96.5 t -62.12 -33.54 59.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.019 -1.051 . . . . 0.0 108.519 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.38 -45.8 90.45 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.489 -0.757 . . . . 0.0 109.448 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -68.46 -27.22 65.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 0.0 109.638 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.15 -56.17 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.657 -1.277 . . . . 0.0 107.58 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -29.16 20.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.462 -0.774 . . . . 0.0 109.109 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -87.19 -38.62 16.22 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.0 109.161 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 54.3 m -66.71 -42.24 86.67 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.74 -57.61 6.05 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.811 -1.18 . . . . 0.0 108.247 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.73 -19.49 0.97 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.244 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -101.25 43.05 1.08 Allowed 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 122.369 1.081 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' B' ' 65' ' ' ASP . 40.1 t0 -44.18 -32.72 1.32 Allowed 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.064 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.1 -10.7 0.01 OUTLIER Glycine 0 N--CA 1.494 2.561 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.713 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' B' ' 63' ' ' ASP . 1.1 p30 -105.96 -31.61 8.69 Favored 'General case' 0 N--CA 1.51 2.566 0 CA-C-N 119.237 1.518 . . . . 0.0 111.973 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -24.47 26.78 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 119.872 -1.768 . . . . 0.0 109.216 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -148.69 130.99 15.58 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.127 -1.219 . . . . 0.0 109.702 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.439 ' SG ' ' CG ' ' B' ' 63' ' ' ASP . 10.8 m -105.31 126.95 52.67 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.12 -0.988 . . . . 0.0 109.454 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -86.17 -171.74 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.253 -0.904 . . . . 0.0 110.453 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -74.09 -36.06 64.24 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -59.26 -37.47 77.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.843 -1.161 . . . . 0.0 109.282 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -73.8 -25.03 59.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.061 -1.025 . . . . 0.0 110.253 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.547 ' CE1' ' CG2' ' B' ' 77' ' ' VAL . 10.2 t80 -76.36 -41.04 49.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 tpt -66.25 -26.69 67.48 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.354 -1.466 . . . . 0.0 108.649 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.06 -45.24 42.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.346 -1.471 . . . . 0.0 110.028 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.1 -32.68 74.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.579 -1.326 . . . . 0.0 109.321 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.547 ' CG2' ' CE1' ' B' ' 73' ' ' PHE . 45.2 t -66.89 -35.7 75.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.15 -0.969 . . . . 0.0 109.244 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 p -71.46 -55.54 7.7 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.143 -0.973 . . . . 0.0 110.161 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 10.8 mtm -50.6 -39.03 48.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.14 -0.975 . . . . 0.0 110.524 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.4 t -73.98 -42.8 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.076 -1.015 . . . . 0.0 109.863 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.9 m -68.71 -42.37 77.79 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.899 -1.125 . . . . 0.0 108.53 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.9 p -72.99 -20.43 61.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.538 -0.726 . . . . 0.0 109.731 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.4 -30.23 51.55 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.068 -1.02 . . . . 0.0 108.557 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' B' ' 46' ' ' GLU . 21.2 m -74.34 143.51 44.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.605 -0.685 . . . . 0.0 109.322 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' B' ' 87' ' ' PHE . 10.6 m-70 -55.68 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.167 -0.958 . . . . 0.0 109.024 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -46.69 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.106 -0.996 . . . . 0.0 109.746 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' B' ' 85' ' ' HIS . 0.9 OUTLIER -59.61 -24.03 63.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.192 -0.943 . . . . 0.0 109.111 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -50.73 -30.46 13.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.141 -0.975 . . . . 0.0 109.076 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -89.46 56.75 3.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.353 -0.842 . . . . 0.0 109.391 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' B' ' 87' ' ' PHE . 94.3 m-70 -61.29 150.26 35.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.385 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 6.4 mp0 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.056 -0.974 . . . . 0.0 109.369 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.606 ' H1 ' ' CE1' ' B' ' 42' ' ' HIS . 8.8 ptt? . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.419 ' OG ' ' OE2' ' A' ' 4' ' ' GLU . 54.2 p -65.1 170.38 4.55 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -57.41 -33.39 67.82 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -63.41 -49.97 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.863 . . . . 0.0 109.8 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' OE2' ' OG ' ' A' ' 1' ' ' SER . 0.6 OUTLIER -52.82 -48.2 67.12 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.855 -1.153 . . . . 0.0 109.086 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.59 -43.19 46.14 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.651 0.739 . . . . 0.0 109.724 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -78.22 -31.02 49.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.758 -0.589 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.37 -47.74 82.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.632 -1.292 . . . . 0.0 107.855 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.76 -37.26 77.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.525 -0.734 . . . . 0.0 109.115 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.09 79.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.282 -0.886 . . . . 0.0 108.704 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.25 -47.24 24.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 108.853 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.7 -43.37 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.89 -50.5 34.71 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 121.559 0.695 . . . . 0.0 110.045 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -76.59 -33.9 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.6 -0.688 . . . . 0.0 111.106 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.45 -34.56 75.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.27 -1.519 . . . . 0.0 108.894 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.09 -32.45 33.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.444 -0.785 . . . . 0.0 110.067 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -54.09 -45.87 71.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.39 -47.81 53.89 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.019 -1.051 . . . . 0.0 109.234 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.3 p -100.07 60.95 1.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.37 -0.831 . . . . 0.0 110.045 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.01 -13.12 5.57 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -66.07 -29.55 69.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.425 -1.044 . . . . 0.0 109.01 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.5 pt-20 -147.6 -45.7 0.17 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.611 -1.306 . . . . 0.0 109.504 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.38 18.02 0.09 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' GLU . 79.9 m-20 -48.16 -53.95 15.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.15 -1.206 . . . . 0.0 108.302 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.73 -179.96 5.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -132.84 45.59 2.72 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -137.47 150.14 47.35 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.609 -0.682 . . . . 0.0 109.427 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.12 142.18 47.7 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.316 -0.865 . . . . 0.0 108.917 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -93.27 149.51 21.18 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.102 -0.999 . . . . 0.0 109.219 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -54.77 -38.67 67.51 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.755 179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.7 p -61.8 -45.16 95.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.238 -0.914 . . . . 0.0 110.547 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -80.33 -36.71 33.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.933 -1.104 . . . . 0.0 108.678 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.71 -43.2 94.21 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.76 -55.66 21.21 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.705 -1.247 . . . . 0.0 108.757 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.91 -35.53 10.71 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.464 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.19 -38.86 86.09 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.963 -1.086 . . . . 0.0 109.87 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -59.85 -33.94 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.661 -1.274 . . . . 0.0 109.601 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.79 -55.68 15.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.409 -0.807 . . . . 0.0 111.993 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.82 5.52 18.49 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.046 -1.034 . . . . 0.0 111.867 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 40' ' ' LEU . 78.0 mm-40 -122.49 -26.84 4.51 Favored 'General case' 0 N--CA 1.507 2.384 0 O-C-N 120.988 -1.07 . . . . 0.0 110.709 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 39' ' ' GLU . 6.7 mp -118.53 23.57 11.43 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.01 -28.08 63.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.41 -0.806 . . . . 0.0 109.565 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.55 ' CE1' ' H1 ' ' B' ' 0' ' ' MET . 15.6 m80 -73.88 -49.72 23.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.039 -1.038 . . . . 0.0 109.464 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.21 -18.67 64.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.93 . . . . 0.0 109.401 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -48.27 -51.55 25.21 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 110.294 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.43 -29.88 64.53 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.193 -0.942 . . . . 0.0 109.697 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.84 59.83 3.76 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.273 -0.892 . . . . 0.0 110.726 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.0 mt -124.17 115.09 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.377 -0.827 . . . . 0.0 108.796 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.67 -47.65 6.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.045 -1.034 . . . . 0.0 109.098 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.78 106.87 17.99 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.347 -0.845 . . . . 0.0 109.265 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.23 -23.5 35.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.01 -22.81 59.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.924 . . . . 0.0 110.34 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -75.57 -50.24 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 120.62 -1.3 . . . . 0.0 107.946 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -63.33 -33.32 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.946 -1.096 . . . . 0.0 108.853 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.14 -44.34 95.02 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.623 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.0 -26.55 65.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 109.841 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.21 -55.76 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.75 -1.219 . . . . 0.0 108.412 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.74 -25.15 17.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.375 -0.828 . . . . 0.0 110.293 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.82 -34.13 21.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.8 -1.188 . . . . 0.0 109.23 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.0 p -67.84 -48.5 66.02 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 120.797 -1.189 . . . . 0.0 107.926 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.3 mt -60.13 -57.67 11.81 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.645 -1.284 . . . . 0.0 108.474 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.61 -23.98 2.96 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.121 -0.987 . . . . 0.0 109.018 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -101.07 41.17 1.2 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.308 1.052 . . . . 0.0 108.847 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.571 ' C ' ' H ' ' A' ' 65' ' ' ASP . 47.5 t0 -43.98 -41.21 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.142 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.16 -8.32 0.01 OUTLIER Glycine 0 N--CA 1.492 2.424 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.816 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 63' ' ' ASP . 91.6 m-20 -108.56 -8.7 15.45 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-N 119.216 1.508 . . . . 0.0 112.471 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.42 -28.63 2.66 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 119.733 -1.854 . . . . 0.0 110.328 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.24 132.89 15.83 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.914 -1.345 . . . . 0.0 110.53 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.2 127.34 51.8 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.279 -0.888 . . . . 0.0 109.045 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 44.5 t0 -84.58 -174.5 5.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.219 -0.925 . . . . 0.0 109.893 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 23.6 t80 -74.52 -32.56 62.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.352 -0.842 . . . . 0.0 109.068 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -56.98 -37.65 71.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.905 -1.122 . . . . 0.0 108.733 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.48 -24.89 61.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.203 -0.936 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 77' ' ' VAL . 47.8 t80 -76.6 -39.52 52.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.099 -1.0 . . . . 0.0 109.134 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.74 -33.53 72.58 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.492 -1.38 . . . . 0.0 109.006 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.16 4.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.208 -1.558 . . . . 0.0 110.368 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.07 -33.92 65.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.687 -1.258 . . . . 0.0 109.158 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 73' ' ' PHE . 23.7 t -64.66 -35.26 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 108.811 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.6 p -68.16 -52.38 35.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.134 -0.979 . . . . 0.0 109.461 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.14 -41.54 49.1 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 0.0 110.324 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.41 -50.58 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.201 -0.937 . . . . 0.0 109.665 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.3 m -57.15 -43.9 82.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.417 -0.802 . . . . 0.0 109.786 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -59.88 -49.82 76.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.543 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.35 -14.23 0.71 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.881 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 25.1 m -77.52 -12.12 59.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.031 -1.043 . . . . 0.0 109.396 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' C ' ' N ' ' A' ' 87' ' ' PHE . 54.3 m80 50.48 -162.95 0.05 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 54.37 10.48 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 109.599 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' N ' ' C ' ' A' ' 85' ' ' HIS . 6.1 t80 -61.32 -55.1 35.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.152 -0.968 . . . . 0.0 108.925 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -88.49 -33.01 17.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.363 -0.835 . . . . 0.0 108.898 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' GLU . 54.2 mm-40 -99.81 60.43 1.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.408 -0.807 . . . . 0.0 109.239 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.42 66.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 109.237 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' GLU . 37.1 tp10 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.923 -1.036 . . . . 0.0 109.524 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.55 ' H1 ' ' CE1' ' A' ' 42' ' ' HIS . 8.8 ptt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.2 p -65.18 170.37 4.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.239 -0.913 . . . . 0.0 109.224 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.32 -33.46 67.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.183 -0.948 . . . . 0.0 109.432 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.496 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.1 tt -63.44 -49.89 71.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.814 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -48.16 67.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.838 -1.164 . . . . 0.0 109.076 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -49.66 -43.18 46.86 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.701 0.762 . . . . 0.0 109.715 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.652 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -78.17 -31.07 49.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.662 -0.649 . . . . 0.0 110.52 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpt -62.36 -47.73 82.9 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.689 -1.257 . . . . 0.0 107.839 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.8 -37.2 77.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.507 -0.745 . . . . 0.0 109.123 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.03 79.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 108.694 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.3 -47.23 25.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 0.0 108.86 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.71 -43.33 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -48.88 -50.49 34.68 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.569 0.699 . . . . 0.0 110.055 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.64 -33.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.594 -0.692 . . . . 0.0 111.09 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.54 -34.54 75.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.258 -1.526 . . . . 0.0 108.824 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -81.12 -32.43 33.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 110.073 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -54.06 -45.87 71.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.282 -0.886 . . . . 0.0 109.761 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.43 -47.88 53.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.038 -1.039 . . . . 0.0 109.198 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 59.4 p -100.0 60.97 1.09 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.416 -0.803 . . . . 0.0 110.065 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.02 -13.02 5.6 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -66.13 -29.62 69.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.385 -1.067 . . . . 0.0 108.961 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 23' ' ' ASP . 15.6 pt-20 -147.56 -45.74 0.17 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.607 -1.308 . . . . 0.0 109.513 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.51 18.0 0.1 OUTLIER Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 21' ' ' GLU . 79.9 m-20 -48.24 -53.88 15.53 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.157 -1.202 . . . . 0.0 108.296 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -90.67 -179.97 5.67 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -132.87 45.58 2.72 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -137.46 150.15 47.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.631 . . . . 0.0 109.429 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.16 142.18 47.72 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.365 -0.835 . . . . 0.0 108.886 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -93.21 149.49 21.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.129 -0.982 . . . . 0.0 109.275 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -54.76 -38.71 67.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.083 -1.01 . . . . 0.0 109.733 179.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 95.9 p -61.84 -45.06 95.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.289 -0.882 . . . . 0.0 110.565 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -80.37 -36.67 33.66 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.006 -1.059 . . . . 0.0 108.657 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.79 -43.15 94.56 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -52.7 -55.74 20.5 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.746 -1.222 . . . . 0.0 108.78 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.89 -35.55 10.66 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.488 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.13 -38.9 86.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.925 -1.109 . . . . 0.0 109.878 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -59.83 -33.89 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.685 -1.259 . . . . 0.0 109.628 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -55.69 15.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.964 -177.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -81.76 5.5 18.38 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.032 -1.042 . . . . 0.0 111.87 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.537 ' O ' HD12 ' B' ' 40' ' ' LEU . 78.0 mm-40 -122.51 -26.91 4.49 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.955 -1.091 . . . . 0.0 110.704 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD12 ' O ' ' B' ' 39' ' ' GLU . 6.7 mp -118.51 23.64 11.39 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.238 -0.914 . . . . 0.0 109.225 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -27.99 63.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 0.0 109.582 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.606 ' CE1' ' H1 ' ' A' ' 0' ' ' MET . 15.7 m80 -73.88 -49.77 23.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.506 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -64.12 -18.67 64.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.272 -0.893 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -48.32 -51.55 25.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.796 . . . . 0.0 110.275 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -57.39 -29.92 64.47 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.231 -0.918 . . . . 0.0 109.723 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -91.82 59.82 3.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.261 -0.899 . . . . 0.0 110.776 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.14 115.05 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.359 -0.838 . . . . 0.0 108.861 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -92.59 -47.63 7.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.976 -1.077 . . . . 0.0 109.156 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -86.81 106.87 18.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.361 -0.837 . . . . 0.0 109.247 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -82.22 -23.47 35.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.006 -1.059 . . . . 0.0 109.663 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -74.06 -22.78 59.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.363 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -75.59 -50.28 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.671 -1.268 . . . . 0.0 107.959 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.3 -33.29 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.976 -1.078 . . . . 0.0 108.893 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -60.1 -44.29 94.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.697 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -69.06 -26.52 65.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 109.824 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.24 -55.75 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 120.718 -1.239 . . . . 0.0 108.405 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 24.2 mmt -53.75 -25.12 17.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -85.84 -34.1 21.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.765 -1.21 . . . . 0.0 109.289 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -67.82 -48.59 65.81 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.76 -1.212 . . . . 0.0 107.939 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 mt -60.1 -57.64 11.98 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.689 -1.257 . . . . 0.0 108.483 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -50.6 -23.95 2.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.116 -0.99 . . . . 0.0 108.979 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -100.97 41.1 1.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.314 1.054 . . . . 0.0 109.156 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.588 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.7 t0 -44.06 -41.11 5.28 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.7 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.06 -8.51 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.911 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.588 ' H ' ' C ' ' B' ' 63' ' ' ASP . 91.5 m-20 -108.45 -8.69 15.52 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 119.11 1.455 . . . . 0.0 112.626 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.45 -28.81 2.64 Favored Glycine 0 N--CA 1.492 2.421 0 O-C-N 119.66 -1.9 . . . . 0.0 110.355 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -150.14 132.84 15.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.91 -1.347 . . . . 0.0 110.479 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.22 127.4 51.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.234 -0.916 . . . . 0.0 109.074 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 44.4 t0 -84.56 -174.49 5.3 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.191 -0.943 . . . . 0.0 109.857 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.466 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 23.4 t80 -74.56 -32.57 62.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.337 -0.852 . . . . 0.0 109.072 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -56.95 -37.67 71.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.006 -1.058 . . . . 0.0 108.787 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.4 -25.05 61.34 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.57 ' O ' HG23 ' B' ' 77' ' ' VAL . 47.6 t80 -76.57 -39.45 52.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 109.148 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.5 tpt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.539 -1.351 . . . . 0.0 109.027 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.85 -56.18 4.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.18 -1.575 . . . . 0.0 110.363 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -55.98 -33.99 65.32 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.661 -1.274 . . . . 0.0 109.138 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 73' ' ' PHE . 23.5 t -64.63 -35.28 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 108.75 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 28.8 p -68.14 -52.44 34.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.0 109.455 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 33.4 ttm -50.1 -41.55 48.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.378 -0.826 . . . . 0.0 110.321 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -73.47 -50.5 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.682 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 35.8 m -57.18 -43.89 83.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 0.0 109.735 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 10.9 p -59.83 -49.9 75.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.152 -0.967 . . . . 0.0 109.525 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.31 -14.28 0.7 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.878 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 24.9 m -77.49 -12.12 59.93 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.102 -0.999 . . . . 0.0 109.421 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' B' ' 87' ' ' PHE . 54.4 m80 50.52 -162.93 0.06 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 54.34 10.46 0.32 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.272 -0.892 . . . . 0.0 109.618 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' B' ' 85' ' ' HIS . 6.1 t80 -61.28 -55.16 35.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.162 -0.961 . . . . 0.0 108.885 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.45 -33.0 18.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.322 -0.862 . . . . 0.0 108.922 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 91' ' ' GLU . 54.1 mm-40 -99.76 60.41 1.11 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.456 -0.778 . . . . 0.0 109.163 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -66.48 66.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.199 -0.938 . . . . 0.0 109.19 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' B' ' 89' ' ' GLU . 37.0 tp10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.462 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.49 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 36.0 p -62.28 172.6 1.42 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.069 -1.019 . . . . 0.0 109.102 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -62.64 -35.75 80.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.629 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.3 tt -65.58 -46.51 79.14 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 109.592 -179.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' SER . 39.5 mt-10 -53.55 -47.27 70.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.888 -1.132 . . . . 0.0 108.73 179.426 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -49.43 -40.28 36.06 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.79 0.805 . . . . 0.0 109.497 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -75.43 -26.76 58.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.919 -0.488 . . . . 0.0 110.693 -179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.82 -51.04 53.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.54 -1.35 . . . . 0.0 107.922 178.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 t -65.99 -38.02 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 109.038 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' ASP . . . -58.66 -48.12 82.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.245 -0.91 . . . . 0.0 108.902 179.387 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.15 -40.79 7.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.32 -0.863 . . . . 0.0 109.19 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 11' ' ' ILE . 1.9 mp -64.78 -38.7 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ALA . 9.2 t70 -51.45 -54.35 27.83 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.669 0.747 . . . . 0.0 110.121 179.611 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -74.39 -38.94 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.688 -0.633 . . . . 0.0 111.188 -178.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.99 -33.6 74.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.156 -1.59 . . . . 0.0 108.694 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.57 -32.45 36.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.534 -0.729 . . . . 0.0 110.111 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.69 -46.54 74.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.368 -0.833 . . . . 0.0 109.915 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.18 -49.21 52.67 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.975 -1.078 . . . . 0.0 108.753 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.1 59.0 1.01 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.44 -0.787 . . . . 0.0 110.116 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.38 -19.16 3.56 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.194 -1.963 . . . . 0.0 108.194 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' A' ' 20' ' ' ARG . 5.5 ptp180 -63.65 -29.05 70.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 108.608 178.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 23' ' ' ASP . 20.9 mp0 -144.97 -47.85 0.24 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.784 -1.197 . . . . 0.0 108.595 177.052 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 43.15 17.78 0.05 OUTLIER Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.8 m-20 -49.63 -49.38 47.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.027 -1.278 . . . . 0.0 108.605 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.72 145.0 25.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.168 -0.958 . . . . 0.0 108.76 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.07 39.43 1.28 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -134.2 153.91 51.56 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.59 141.05 52.38 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.313 -0.867 . . . . 0.0 108.941 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.61 148.71 23.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.042 -1.036 . . . . 0.0 109.492 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 30' ' ' SER . 15.8 pttm -55.79 -42.58 75.78 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.217 -0.927 . . . . 0.0 110.7 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.484 ' N ' ' CG ' ' A' ' 29' ' ' LYS . 60.4 p -55.65 -38.11 69.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.377 -0.827 . . . . 0.0 110.719 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.76 -32.03 31.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.975 -1.078 . . . . 0.0 108.618 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 32' ' ' LEU . 2.5 tt -62.29 -46.96 86.42 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.71 -57.63 9.48 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.44 -1.413 . . . . 0.0 108.642 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.08 -36.44 18.49 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.114 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.69 -38.92 84.33 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.047 -1.033 . . . . 0.0 109.514 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.5 -42.59 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.728 -1.233 . . . . 0.0 109.253 178.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.17 -41.97 89.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.487 -0.758 . . . . 0.0 111.324 -178.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.53 3.41 42.79 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.128 -0.983 . . . . 0.0 111.379 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.73 6.49 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 120.94 -1.1 . . . . 0.0 110.7 -179.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.9 mt -120.85 42.04 3.14 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.296 -0.878 . . . . 0.0 109.633 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -73.09 -32.62 65.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.368 -0.832 . . . . 0.0 110.099 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -66.99 -50.59 61.76 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.98 -1.075 . . . . 0.0 109.966 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' A' ' 81' ' ' THR . 7.8 m-85 -65.28 -29.68 70.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.119 -0.988 . . . . 0.0 109.322 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.518 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -49.69 -26.65 3.92 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.92 . . . . 0.0 109.455 -179.442 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.95 -37.66 23.82 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.004 -1.06 . . . . 0.0 109.666 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 91.1 mt-10 -89.05 57.69 4.22 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.25 -0.906 . . . . 0.0 110.236 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.63 108.13 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.401 -0.812 . . . . 0.0 108.821 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.8 -41.23 11.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.075 -1.016 . . . . 0.0 109.472 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.1 66.11 6.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.144 -0.972 . . . . 0.0 109.632 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.485 HE21 ' CG ' ' A' ' 54' ' ' ASP . 45.7 tp60 -46.12 -22.48 0.23 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.087 -1.008 . . . . 0.0 110.159 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.8 -23.77 59.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.114 -0.991 . . . . 0.0 110.406 -179.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -74.53 -48.05 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.677 -1.265 . . . . 0.0 108.022 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.2 -34.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.986 -1.071 . . . . 0.0 108.939 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CG ' HE21 ' A' ' 50' ' ' GLN . 83.3 m-20 -57.89 -43.44 86.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.305 -0.872 . . . . 0.0 109.557 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.06 -26.31 63.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.908 . . . . 0.0 109.868 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.56 -57.65 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.74 -1.225 . . . . 0.0 108.135 178.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.504 ' N ' ' SD ' ' A' ' 57' ' ' MET . 0.2 OUTLIER -53.63 -26.14 20.82 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.331 -0.856 . . . . 0.0 109.588 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -86.98 -37.04 17.9 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 110.104 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.53 -47.95 68.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.562 -1.337 . . . . 0.0 108.293 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 76' ' ' PHE . 10.7 mp -57.46 -55.24 37.37 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.671 -1.268 . . . . 0.0 107.745 177.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -49.72 -25.64 3.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.117 -0.989 . . . . 0.0 109.016 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -98.58 39.82 1.23 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.285 1.04 . . . . 0.0 108.939 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 65' ' ' ASP . 48.6 t0 -45.05 -38.92 5.27 Favored 'General case' 0 C--N 1.275 -2.642 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.952 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.41 -4.69 0.01 OUTLIER Glycine 0 N--CA 1.493 2.474 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.723 178.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 63' ' ' ASP . 23.7 t0 -109.81 -8.74 14.86 Favored 'General case' 0 N--CA 1.514 2.745 0 CA-C-N 119.144 1.472 . . . . 0.0 112.632 -179.322 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.99 -28.45 2.88 Favored Glycine 0 N--CA 1.496 2.682 0 O-C-N 119.644 -1.91 . . . . 0.0 110.929 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -149.67 132.38 15.93 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.859 -1.377 . . . . 0.0 110.248 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.98 128.16 53.15 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.242 -0.912 . . . . 0.0 109.267 179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -85.94 -172.73 4.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.145 -0.972 . . . . 0.0 110.159 -179.466 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -74.09 -36.82 64.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.399 -0.813 . . . . 0.0 108.941 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.63 -37.72 65.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.892 -1.13 . . . . 0.0 108.749 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.54 -25.63 61.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 109.792 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 77' ' ' VAL . 65.4 t80 -75.02 -38.67 61.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.056 -1.027 . . . . 0.0 108.594 177.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.9 -52.78 25.88 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.516 -1.365 . . . . 0.0 108.747 178.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.72 -53.25 60.27 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.231 -1.543 . . . . 0.0 111.517 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CG ' HD11 ' A' ' 60' ' ' LEU . 15.1 m-85 -62.11 -33.58 74.73 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.549 -1.344 . . . . 0.0 109.718 -178.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 73' ' ' PHE . 32.4 t -68.33 -33.79 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.5 -46.56 79.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.0 109.755 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 83' ' ' ALA . 50.5 mmm -55.43 -54.09 48.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.012 -1.055 . . . . 0.0 110.357 -178.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -54.7 -38.1 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -178.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 43' ' ' PHE . 7.9 m -68.66 -50.76 48.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.216 -0.928 . . . . 0.0 108.908 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.7 p -72.25 -18.81 61.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 79' ' ' MET . . . -55.1 -26.4 37.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.091 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' ND1' ' A' ' 85' ' ' HIS . 42.7 t -75.0 151.87 38.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.393 -0.817 . . . . 0.0 109.043 179.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' ND1' ' SG ' ' A' ' 84' ' ' CYS . 34.8 p-80 -49.86 177.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.972 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.23 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.296 -0.877 . . . . 0.0 109.787 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 20.0 p90 -61.51 -24.45 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.696 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 54.4 m-85 -50.77 -38.92 50.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.094 -1.004 . . . . 0.0 109.013 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 91' ' ' GLU . 5.1 mp0 -84.98 67.31 10.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.81 . . . . 0.0 109.1 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.18 35.44 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.625 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 36.6 p -62.34 172.56 1.46 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.045 -1.034 . . . . 0.0 109.018 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.63 -35.72 80.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.174 -0.954 . . . . 0.0 109.624 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.478 ' O ' HD23 ' B' ' 3' ' ' LEU . 1.3 tt -65.6 -46.49 79.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.35 -0.844 . . . . 0.0 109.56 -179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 1' ' ' SER . 39.5 mt-10 -53.6 -47.24 70.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.933 -1.104 . . . . 0.0 108.714 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -49.43 -40.31 36.08 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.747 0.784 . . . . 0.0 109.433 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -75.42 -26.81 58.68 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.935 -0.478 . . . . 0.0 110.642 -179.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 1.9 mmt -67.79 -51.05 53.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.556 -1.34 . . . . 0.0 107.944 178.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.461 ' H ' HG23 ' B' ' 8' ' ' VAL . 2.2 t -65.92 -38.05 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.034 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' B' ' 12' ' ' ASP . . . -58.67 -48.13 82.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -0.905 . . . . 0.0 108.895 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 9' ' ' ALA . 4.9 mt -45.15 -40.78 7.41 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 109.191 -179.23 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.468 HD12 ' N ' ' B' ' 11' ' ' ILE . 1.9 mp -64.78 -38.71 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 178.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' B' ' 9' ' ' ALA . 9.3 t70 -51.51 -54.37 27.91 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.649 0.737 . . . . 0.0 110.064 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.34 -38.92 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.72 -0.613 . . . . 0.0 111.269 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.03 -33.58 74.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.127 -1.608 . . . . 0.0 108.67 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -80.58 -32.43 36.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.56 -0.713 . . . . 0.0 110.101 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -54.65 -46.61 73.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 109.884 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -70.16 -49.26 52.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.978 -1.076 . . . . 0.0 108.748 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 25.1 p -100.07 59.04 1.02 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.455 -0.778 . . . . 0.0 110.062 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.41 -19.21 3.53 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 108.137 -1.985 . . . . 0.0 108.137 178.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -63.58 -29.11 70.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -1.124 . . . . 0.0 108.583 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' B' ' 23' ' ' ASP . 20.9 mp0 -144.93 -47.82 0.24 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.757 -1.214 . . . . 0.0 108.604 177.024 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.09 17.91 0.05 OUTLIER Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' B' ' 21' ' ' GLU . 81.7 m-20 -49.74 -49.31 48.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.24 . . . . 0.0 108.624 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -90.64 144.99 25.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 178.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -99.09 39.37 1.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -134.18 153.92 51.55 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -123.58 141.05 52.39 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.384 -0.823 . . . . 0.0 108.896 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.65 148.71 23.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.097 -1.002 . . . . 0.0 109.44 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' CG ' ' N ' ' B' ' 30' ' ' SER . 15.8 pttm -55.73 -42.59 75.56 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 110.709 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.479 ' N ' ' CG ' ' B' ' 29' ' ' LYS . 59.5 p -55.65 -38.18 69.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.38 -0.825 . . . . 0.0 110.7 -178.601 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.68 -32.04 31.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.955 -1.091 . . . . 0.0 108.642 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.54 ' O ' HD23 ' B' ' 32' ' ' LEU . 2.5 tt -62.28 -47.0 86.24 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -52.65 -57.66 9.33 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.465 -1.397 . . . . 0.0 108.678 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -49.11 -36.39 18.76 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.595 -0.842 . . . . 0.0 109.151 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.76 -38.84 83.98 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.103 -0.998 . . . . 0.0 109.473 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -59.52 -42.57 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.719 -1.238 . . . . 0.0 109.248 178.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -59.19 -41.96 89.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 111.319 -178.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -100.52 3.42 42.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 111.369 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -115.29 -29.72 6.5 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 120.953 -1.092 . . . . 0.0 110.687 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.2 mt -120.93 42.05 3.14 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.336 -0.853 . . . . 0.0 109.608 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.07 -32.63 65.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 110.106 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -67.0 -50.57 61.8 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.969 -1.082 . . . . 0.0 109.981 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.45 ' CE2' HG23 ' B' ' 81' ' ' THR . 7.8 m-85 -65.3 -29.66 70.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.148 -0.97 . . . . 0.0 109.29 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -49.68 -26.61 3.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.463 -179.429 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -82.99 -37.67 23.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.975 -1.078 . . . . 0.0 109.688 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.485 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 91.2 mt-10 -89.0 57.67 4.22 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.21 -0.931 . . . . 0.0 110.209 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -116.66 108.11 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.411 -0.806 . . . . 0.0 108.855 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -90.81 -41.1 11.41 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 109.519 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -90.14 66.14 6.62 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.172 -0.955 . . . . 0.0 109.649 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.484 HE21 ' CG ' ' B' ' 54' ' ' ASP . 45.8 tp60 -46.17 -22.44 0.23 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.148 -0.97 . . . . 0.0 110.124 -179.241 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -73.77 -23.87 59.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.16 -0.963 . . . . 0.0 110.44 -179.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.49 -48.04 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.735 -1.228 . . . . 0.0 108.022 177.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.21 -34.68 68.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 120.932 -1.105 . . . . 0.0 108.938 179.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.484 ' CG ' HE21 ' B' ' 50' ' ' GLN . 83.2 m-20 -57.95 -43.4 86.37 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.319 -0.863 . . . . 0.0 109.533 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -70.11 -26.23 63.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -0.97 . . . . 0.0 109.897 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.57 -57.69 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.74 -1.225 . . . . 0.0 108.131 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' B' ' 57' ' ' MET . 0.2 OUTLIER -53.55 -26.21 20.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 109.616 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -86.96 -37.03 17.95 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.063 . . . . 0.0 110.083 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.6 m -67.54 -47.97 68.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.556 -1.34 . . . . 0.0 108.28 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' B' ' 76' ' ' PHE . 10.7 mp -57.46 -55.25 37.2 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.676 -1.265 . . . . 0.0 107.68 177.399 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -49.66 -25.61 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.126 -0.984 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -98.62 39.92 1.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.389 1.09 . . . . 0.0 109.252 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' B' ' 65' ' ' ASP . 47.4 t0 -44.9 -39.1 5.13 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.499 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 51.29 -4.8 0.01 OUTLIER Glycine 0 N--CA 1.489 2.185 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.914 178.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' B' ' 63' ' ' ASP . 23.8 t0 -109.78 -8.65 14.88 Favored 'General case' 0 N--CA 1.509 2.495 0 CA-C-N 119.044 1.422 . . . . 0.0 112.738 -179.282 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.02 -28.52 2.87 Favored Glycine 0 N--CA 1.494 2.522 0 O-C-N 119.528 -1.982 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -149.64 132.35 15.92 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.778 -1.425 . . . . 0.0 110.255 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 62.0 m -105.03 128.13 53.18 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.263 -0.898 . . . . 0.0 109.225 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.6 OUTLIER -85.86 -172.7 4.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.085 -1.009 . . . . 0.0 110.188 -179.524 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -74.1 -36.81 64.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.387 -0.82 . . . . 0.0 108.941 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -54.62 -37.69 65.92 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 120.97 -1.081 . . . . 0.0 108.762 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.66 -25.54 61.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 109.731 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.587 ' O ' HG23 ' B' ' 77' ' ' VAL . 65.3 t80 -75.04 -38.66 61.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.103 -0.998 . . . . 0.0 108.624 177.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 5.9 tpt -68.96 -52.7 26.33 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 108.782 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.31 59.59 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.335 -1.478 . . . . 0.0 111.486 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' B' ' 60' ' ' LEU . 15.4 m-85 -62.03 -33.61 74.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.502 -1.374 . . . . 0.0 109.739 -178.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 73' ' ' PHE . 32.2 t -68.32 -33.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.086 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -65.43 -46.53 79.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -0.954 . . . . 0.0 109.782 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.542 ' O ' ' N ' ' B' ' 83' ' ' ALA . 50.5 mmm -55.52 -54.14 47.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.987 -1.071 . . . . 0.0 110.296 -178.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.61 -38.14 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.11 -0.994 . . . . 0.0 109.492 -178.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.45 HG23 ' CE2' ' B' ' 43' ' ' PHE . 8.0 m -68.63 -50.81 48.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.148 -0.97 . . . . 0.0 108.858 179.297 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -72.19 -18.86 61.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.457 -0.777 . . . . 0.0 109.69 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 79' ' ' MET . . . -55.14 -26.34 37.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 0.0 109.056 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.504 ' SG ' ' ND1' ' B' ' 85' ' ' HIS . 42.5 t -75.15 151.89 38.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.333 -0.855 . . . . 0.0 108.996 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' ND1' ' SG ' ' B' ' 84' ' ' CYS . 34.9 p-80 -49.9 177.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.113 -0.992 . . . . 0.0 109.295 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.24 100.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.234 -0.916 . . . . 0.0 109.802 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 20.2 p90 -61.5 -24.42 66.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 54.2 m-85 -50.81 -38.85 50.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.104 -0.997 . . . . 0.0 109.03 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' B' ' 91' ' ' GLU . 5.1 mp0 -85.04 67.32 10.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.431 -0.793 . . . . 0.0 109.087 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -75.19 35.38 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.581 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' B' ' 89' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.401 179.86 . . . . . . . . 1 1 . 1 stop_ save_